5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one

C8H11NO — CID 59887606

IUPAC5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one
SMILESCC1=NCC(=O)C1=C(C)C
InChIInChI=1S/C8H11NO/c1-5(2)8-6(3)9-4-7(8)10/h4H2,1-3H3
InChIKeyPKLIYHYUYPZSLU-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.37
Rot. Bonds

About 5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one

5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one (PubChem CID 59887606) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one.

Molecular Properties

Compound Name5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one
PubChem CID59887606
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one
SMILESCC1=NCC(=O)C1=C(C)C
InChIInChI=1S/C8H11NO/c1-5(2)8-6(3)9-4-7(8)10/h4H2,1-3H3
InChIKeyPKLIYHYUYPZSLU-UHFFFAOYSA-N
XLogP1.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5,6-trimethyl-2H-pyridin-3-one
CID 20652899
(4E)-4-(3,4-dimethylpent-3-en-2-ylidene)-5-methyl-2H-pyrrol-3-one
CID 59887614
4-(3,4-dimethylpent-3-en-2-ylidene)-5-methyl-2H-pyrrol-3-one
CID 72588155
1-(3,5-dimethyl-2H-pyrrol-4-yl)ethanone
CID 97298650
3-(N-ethyl-C-methylcarbonimidoyl)-4-methylpent-3-en-2-one
CID 123346614
1-(5-methyl-2-propyl-2H-pyrrol-4-yl)ethanone
CID 137467935
3-(C,N-dimethylcarbonimidoyl)-4-methylpent-3-en-2-one;ethane
CID 143127939
(E)-3,4-dimethyl-5-methyliminohex-3-en-2-one
CID 143364858
1-(4,5-dimethyl-2H-pyrrol-3-yl)ethanone
CID 174484478
1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone
CID 174508740
3-(C,N-dimethylcarbonimidoyl)-4-methylpent-3-en-2-one
CID 143127776
1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone
CID 158691785

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one?
The IUPAC name of 5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one (CID 59887606) is 5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one.
What is the SMILES notation for 5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one?
The canonical SMILES for 5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one is CC1=NCC(=O)C1=C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one?
The InChIKey is PKLIYHYUYPZSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5(2)8-6(3)9-4-7(8)10/h4H2,1-3H3.
What are the key properties of 5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one?
5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one has a molecular weight of 137.18 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one is sourced from PubChem (CID 59887606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).