(5Z)-5-ethylidene-4-methylpyrrol-2-one

C7H9NO — CID 45092435

IUPAC(5Z)-5-ethylidene-4-methylpyrrol-2-one
SMILESC/C=C1\NC(=O)C=C1C
InChIInChI=1S/C7H9NO/c1-3-6-5(2)4-7(9)8-6/h3-4H,1-2H3,(H,8,9)/b6-3-
InChIKeyPKLNUEXBHIJYLD-UTCJRWHESA-N
MW123.15 g/mol
LogP0.97
Rot. Bonds

About (5Z)-5-ethylidene-4-methylpyrrol-2-one

(5Z)-5-ethylidene-4-methylpyrrol-2-one (PubChem CID 45092435) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (5Z)-5-ethylidene-4-methylpyrrol-2-one.

Molecular Properties

Compound Name(5Z)-5-ethylidene-4-methylpyrrol-2-one
PubChem CID45092435
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(5Z)-5-ethylidene-4-methylpyrrol-2-one
SMILESC/C=C1\NC(=O)C=C1C
InChIInChI=1S/C7H9NO/c1-3-6-5(2)4-7(9)8-6/h3-4H,1-2H3,(H,8,9)/b6-3-
InChIKeyPKLNUEXBHIJYLD-UTCJRWHESA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5Z)-5-ethylidene-4-methylpyrrol-2-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 (5Z)-5-ethylidene-4-methylpyrrol-2-one?
The IUPAC name of (5Z)-5-ethylidene-4-methylpyrrol-2-one (CID 45092435) is (5Z)-5-ethylidene-4-methylpyrrol-2-one.
What is the SMILES notation for (5Z)-5-ethylidene-4-methylpyrrol-2-one?
The canonical SMILES for (5Z)-5-ethylidene-4-methylpyrrol-2-one is C/C=C1\NC(=O)C=C1C.
What is the InChIKey of (5Z)-5-ethylidene-4-methylpyrrol-2-one?
The InChIKey is PKLNUEXBHIJYLD-UTCJRWHESA-N. The full InChI is InChI=1S/C7H9NO/c1-3-6-5(2)4-7(9)8-6/h3-4H,1-2H3,(H,8,9)/b6-3-.
What are the key properties of (5Z)-5-ethylidene-4-methylpyrrol-2-one?
(5Z)-5-ethylidene-4-methylpyrrol-2-one has a molecular weight of 123.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-4-methylpyrrol-2-one is sourced from PubChem (CID 45092435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).