1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one

C10H15NO — CID 20695518

IUPAC1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one
SMILESCC(C)=C1C(C)=C(C)C(=O)N1C
InChIInChI=1S/C10H15NO/c1-6(2)9-7(3)8(4)10(12)11(9)5/h1-5H3
InChIKeyALAHKASIWHPCJO-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.09
Rot. Bonds

About 1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one

1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one (PubChem CID 20695518) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one
PubChem CID20695518
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one
SMILESCC(C)=C1C(C)=C(C)C(=O)N1C
InChIInChI=1S/C10H15NO/c1-6(2)9-7(3)8(4)10(12)11(9)5/h1-5H3
InChIKeyALAHKASIWHPCJO-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,4,5,6-Pentamethyl-2(1H)-pyridinone
CID 586035
4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one
CID 146620664
3-Ethyl-1,4,6-trimethyl-5-(trifluoromethyl)pyridin-2-one
CID 146630370
1,4-Dimethyl-5-propan-2-ylidenepyrrol-2-one
CID 134831218
1,3,4,6-Tetramethylpyridin-2-one
CID 12913257
1,4,5,6-Tetramethyl-2(1H)-pyridinone
CID 13433091
1-Methylcyclohepta[b]pyrrol-2(1H)-one
CID 14088581
1,4,5-Trimethyl-3-methylidenepyrrol-2-one
CID 20614774
2-(3-Cyano-1,4-dimethyl-5-oxopyrrol-2-ylidene)propanedinitrile
CID 20723896
1,2,3,4-tetramethyl-2H-pyrrol-5-one
CID 21718258
1-Ethyl-3,4,5,6-tetramethylpyridin-2-one
CID 22093020
3,4-Dimethyl-5-propan-2-ylidenepyrrol-2-one
CID 45095845

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one?
The IUPAC name of 1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one (CID 20695518) is 1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one.
What is the SMILES notation for 1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one?
The canonical SMILES for 1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one is CC(C)=C1C(C)=C(C)C(=O)N1C.
What is the InChIKey of 1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one?
The InChIKey is ALAHKASIWHPCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6(2)9-7(3)8(4)10(12)11(9)5/h1-5H3.
What are the key properties of 1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one?
1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-propan-2-ylidenepyrrol-2-one is sourced from PubChem (CID 20695518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).