4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one

C11H15NO — CID 143469083

IUPAC4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one
SMILESC=CC1=C(C/C=C\C)CC(=O)N1C
InChIInChI=1S/C11H15NO/c1-4-6-7-9-8-11(13)12(3)10(9)5-2/h4-6H,2,7-8H2,1,3H3/b6-4-
InChIKeyFQPYKHDNLOKMOG-XQRVVYSFSA-N
MW177.25 g/mol
LogP2.25
Rot. Bonds3

About 4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one

4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one (PubChem CID 143469083) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one
PubChem CID143469083
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one
SMILESC=CC1=C(C/C=C\C)CC(=O)N1C
InChIInChI=1S/C11H15NO/c1-4-6-7-9-8-11(13)12(3)10(9)5-2/h4-6H,2,7-8H2,1,3H3/b6-4-
InChIKeyFQPYKHDNLOKMOG-XQRVVYSFSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethenylphenyl)methyl]-3-methyl-1,3-diazinane-2,4,6-trione
CID 102461213
1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 143469017
1,2-bis(but-2-enyl)cycloocta-1,5-diene
CID 173112409
1-but-2-enylpyrrolidine-2,5-dione
CID 70609957
1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione
CID 12864692
4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one
CID 143838751
acetylene;1,5-dimethyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
CID 143469016
2-[(E)-but-2-enyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CID 164897999
5-[(Z)-but-2-enyl]-3-methyl-4-(methylideneamino)-1,3-oxazol-2-one
CID 143469092
4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane
CID 143838750
3-[(Z)-but-2-enyl]-2-methylidene-1,3-thiazolidin-4-one
CID 143676783
4-[(Z)-but-2-enyl]-3-cyclopropyl-5-methyl-1H-imidazol-2-one
CID 143435886

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one?
The IUPAC name of 4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one (CID 143469083) is 4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one.
What is the SMILES notation for 4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one?
The canonical SMILES for 4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one is C=CC1=C(C/C=C\C)CC(=O)N1C.
What is the InChIKey of 4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one?
The InChIKey is FQPYKHDNLOKMOG-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-6-7-9-8-11(13)12(3)10(9)5-2/h4-6H,2,7-8H2,1,3H3/b6-4-.
What are the key properties of 4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one?
4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-enyl]-5-ethenyl-1-methyl-3H-pyrrol-2-one is sourced from PubChem (CID 143469083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).