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

C11H15NO — CID 143693552

IUPAC3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/C=C\CC)C(C)NC1=O
InChIInChI=1S/C11H15NO/c1-4-6-7-10-8(3)12-11(13)9(10)5-2/h5-8H,2,4H2,1,3H3,(H,12,13)/b7-6-
InChIKeyWKVBEUXGBBKZRK-SREVYHEPSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds3

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

3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one (PubChem CID 143693552) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one
PubChem CID143693552
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one
SMILESC=CC1=C(/C=C\CC)C(C)NC1=O
InChIInChI=1S/C11H15NO/c1-4-6-7-10-8(3)12-11(13)9(10)5-2/h5-8H,2,4H2,1,3H3,(H,12,13)/b7-6-
InChIKeyWKVBEUXGBBKZRK-SREVYHEPSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-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-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one (CID 143693552) is 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one is C=CC1=C(/C=C\CC)C(C)NC1=O.
What is the InChIKey of 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is WKVBEUXGBBKZRK-SREVYHEPSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-6-7-10-8(3)12-11(13)9(10)5-2/h5-8H,2,4H2,1,3H3,(H,12,13)/b7-6-.
What are the key properties of 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one?
3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 177.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 143693552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).