1-methyl-3-methylidenepyrrolidin-2-one

C6H9NO — CID 10844354

IUPAC1-methyl-3-methylidenepyrrolidin-2-one
SMILESC=C1CCN(C)C1=O
InChIInChI=1S/C6H9NO/c1-5-3-4-7(2)6(5)8/h1,3-4H2,2H3
InChIKeyAFXKUUDFKHVAGI-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.40
Rot. Bonds

About 1-methyl-3-methylidenepyrrolidin-2-one

1-methyl-3-methylidenepyrrolidin-2-one (PubChem CID 10844354) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-methyl-3-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-methylidenepyrrolidin-2-one
PubChem CID10844354
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-methyl-3-methylidenepyrrolidin-2-one
SMILESC=C1CCN(C)C1=O
InChIInChI=1S/C6H9NO/c1-5-3-4-7(2)6(5)8/h1,3-4H2,2H3
InChIKeyAFXKUUDFKHVAGI-UHFFFAOYSA-N
XLogP0.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidenepyrrolidin-2-one?
The IUPAC name of 1-methyl-3-methylidenepyrrolidin-2-one (CID 10844354) is 1-methyl-3-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-methylidenepyrrolidin-2-one is C=C1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-methylidenepyrrolidin-2-one?
The InChIKey is AFXKUUDFKHVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-3-4-7(2)6(5)8/h1,3-4H2,2H3.
What are the key properties of 1-methyl-3-methylidenepyrrolidin-2-one?
1-methyl-3-methylidenepyrrolidin-2-one has a molecular weight of 111.14 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidenepyrrolidin-2-one is sourced from PubChem (CID 10844354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).