1-Methyl-2-Pyrrolidinone (C5H9NO)

1-Methyl-2-Pyrrolidinone presents a C5 framework, basic nitrogen (formula C5H9NO, CAS 872-50-4). ChemicalTool Reaction can propose ranked disconnections for 1-Methyl-2-Pyrrolidinone from the SMILES CN1CCCC1=O.

Target: 1-Methyl-2-Pyrrolidinone
CAS: 872-50-4
Formula: C5H9NO
Approx. MW: 99.13
SMILES: CN1CCCC1=O
PubChem CID: 13387
Approx. carbons: C5

1-Methyl-2-Pyrrolidinone structure

Properties

IUPAC name: 1-methylpyrrolidin-2-one
Common names: 1-METHYL-2-PYRROLIDINONE; 872-50-4; N-Methyl-2-pyrrolidone; N-Methylpyrrolidone; N-Methyl-2-pyrrolidinone; Methylpyrrolidone; 1-Methyl-2-pyrrolidone; 1-Methylpyrrolidone; Methyl pyrrolidone; N-Methylpyrrolidinone
Molecular weight: 99.13
Exact mass: 99.07
InChIKey: SECXISVLQFMRJM-UHFFFAOYSA-N
Melting point: -9 °F (NTP, 1992)
Boiling point: 396 °F at 760 mmHg (NTP, 1992)
Density: 1.03 at 77 °F (USCG, 1999) - Denser than water; will sink

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1-Methyl-2-Pyrrolidinone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Methyl-2-Pyrrolidinone?

1-Methyl-2-Pyrrolidinone has molecular formula C5H9NO. Molecular weight about 99.13 g·mol⁻¹.

What is the CAS number of 1-Methyl-2-Pyrrolidinone?

The CAS Registry Number for 1-Methyl-2-Pyrrolidinone is 872-50-4.

Run AI retrosynthesis for 1-Methyl-2-Pyrrolidinone Target catalog AI tools overview

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.