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

C10H13NO — CID 129043575

IUPAC5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC=CC1=C(/C=C\C)CC(=O)N1C
InChIInChI=1S/C10H13NO/c1-4-6-8-7-10(12)11(3)9(8)5-2/h4-6H,2,7H2,1,3H3/b6-4-
InChIKeyJZPVEDZOSSPKKP-XQRVVYSFSA-N
MW163.22 g/mol
LogP1.86
Rot. Bonds2

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

5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (PubChem CID 129043575) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.

Molecular Properties

Compound Name5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
PubChem CID129043575
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC=CC1=C(/C=C\C)CC(=O)N1C
InChIInChI=1S/C10H13NO/c1-4-6-8-7-10(12)11(3)9(8)5-2/h4-6H,2,7H2,1,3H3/b6-4-
InChIKeyJZPVEDZOSSPKKP-XQRVVYSFSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The IUPAC name of 5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (CID 129043575) is 5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.
What is the SMILES notation for 5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The canonical SMILES for 5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is C=CC1=C(/C=C\C)CC(=O)N1C.
What is the InChIKey of 5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The InChIKey is JZPVEDZOSSPKKP-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-6-8-7-10(12)11(3)9(8)5-2/h4-6H,2,7H2,1,3H3/b6-4-.
What are the key properties of 5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is sourced from PubChem (CID 129043575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).