1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one

C9H15NO — CID 137416985

IUPAC1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one
SMILESC=C1CC(C(C)C)C(=O)N1C
InChIInChI=1S/C9H15NO/c1-6(2)8-5-7(3)10(4)9(8)11/h6,8H,3,5H2,1-2,4H3
InChIKeyPPGFDSZZAPZAIS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.63
Rot. Bonds1

About 1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one

1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one (PubChem CID 137416985) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one
PubChem CID137416985
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one
SMILESC=C1CC(C(C)C)C(=O)N1C
InChIInChI=1S/C9H15NO/c1-6(2)8-5-7(3)10(4)9(8)11/h6,8H,3,5H2,1-2,4H3
InChIKeyPPGFDSZZAPZAIS-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-5-methylidene-3-(1,2,2-trifluoropropyl)pyrrolidin-2-one
CID 166916743
3-Tert-butyl-3-methyl-5-methylidene-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 159689835
1-Ethyl-3-methyl-5-methylidenepyrrolidin-2-one
CID 18736407
2-Methyl-1-(2-methylidenepyrrolidin-1-yl)butan-1-one
CID 20704196
1,3-Dimethyl-5-methylidenepyrrolidin-2-one
CID 21050591
1-(5-Methylcyclohexen-1-yl)pyrrolidin-2-one
CID 54531759
1-[3-[2-(Dimethylamino)prop-2-enyl]pyrrolidin-1-yl]propan-1-one
CID 58493122
1,3-Diethyl-5-methylidenepyrrolidin-2-one
CID 58975945
1,3-Ditert-butyl-5-methylidenepyrrolidin-2-one
CID 59096680
1,4-Dimethyl-5-methylidenepyrrolidin-2-one
CID 59591209
5-Methylidene-1-(2-methylpropyl)pyrrolidin-2-one
CID 59657422
1,4-Diethyl-5-methylidenepyrrolidin-2-one
CID 59801864

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one (CID 137416985) is 1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one is C=C1CC(C(C)C)C(=O)N1C.
What is the InChIKey of 1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is PPGFDSZZAPZAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)8-5-7(3)10(4)9(8)11/h6,8H,3,5H2,1-2,4H3.
What are the key properties of 1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one?
1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 137416985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).