4-methyl-3-methylidenepyrrolidin-2-one

C6H9NO — CID 69168911

IUPAC4-methyl-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)NCC1C
InChIInChI=1S/C6H9NO/c1-4-3-7-6(8)5(4)2/h4H,2-3H2,1H3,(H,7,8)
InChIKeySMDOEYHNQYPEFE-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.31
Rot. Bonds

About 4-methyl-3-methylidenepyrrolidin-2-one

4-methyl-3-methylidenepyrrolidin-2-one (PubChem CID 69168911) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-methyl-3-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-methylidenepyrrolidin-2-one
PubChem CID69168911
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-methyl-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)NCC1C
InChIInChI=1S/C6H9NO/c1-4-3-7-6(8)5(4)2/h4H,2-3H2,1H3,(H,7,8)
InChIKeySMDOEYHNQYPEFE-UHFFFAOYSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
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 4-methyl-3-methylidenepyrrolidin-2-one?
The IUPAC name of 4-methyl-3-methylidenepyrrolidin-2-one (CID 69168911) is 4-methyl-3-methylidenepyrrolidin-2-one.
What is the SMILES notation for 4-methyl-3-methylidenepyrrolidin-2-one?
The canonical SMILES for 4-methyl-3-methylidenepyrrolidin-2-one is C=C1C(=O)NCC1C.
What is the InChIKey of 4-methyl-3-methylidenepyrrolidin-2-one?
The InChIKey is SMDOEYHNQYPEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-3-7-6(8)5(4)2/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of 4-methyl-3-methylidenepyrrolidin-2-one?
4-methyl-3-methylidenepyrrolidin-2-one has a molecular weight of 111.14 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidenepyrrolidin-2-one is sourced from PubChem (CID 69168911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).