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

C12H17NO — CID 134492959

IUPAC3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)C(=O)N(C(C)C)C1
InChIInChI=1S/C12H17NO/c1-5-7-11-10(6-2)8-13(9(3)4)12(11)14/h5-7,9H,2,8H2,1,3-4H3/b7-5-
InChIKeyAKZCEFFYUFCEGM-ALCCZGGFSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds3

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

3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (PubChem CID 134492959) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
PubChem CID134492959
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)C(=O)N(C(C)C)C1
InChIInChI=1S/C12H17NO/c1-5-7-11-10(6-2)8-13(9(3)4)12(11)14/h5-7,9H,2,8H2,1,3-4H3/b7-5-
InChIKeyAKZCEFFYUFCEGM-ALCCZGGFSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The IUPAC name of 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (CID 134492959) is 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is C=CC1=C(/C=C\C)C(=O)N(C(C)C)C1.
What is the InChIKey of 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The InChIKey is AKZCEFFYUFCEGM-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-7-11-10(6-2)8-13(9(3)4)12(11)14/h5-7,9H,2,8H2,1,3-4H3/b7-5-.
What are the key properties of 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one has a molecular weight of 191.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is sourced from PubChem (CID 134492959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).