4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one

C10H14N2O — CID 164865323

IUPAC4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one
SMILESC/C=C\C=N\C1=C(CC)CNC1=O
InChIInChI=1S/C10H14N2O/c1-3-5-6-11-9-8(4-2)7-12-10(9)13/h3,5-6H,4,7H2,1-2H3,(H,12,13)/b5-3-,11-6+
InChIKeyQTEJCGXOBFKWMY-GGKXIICKSA-N
MW178.24 g/mol
LogP1.43
Rot. Bonds3

About 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one

4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one (PubChem CID 164865323) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one
PubChem CID164865323
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one
SMILESC/C=C\C=N\C1=C(CC)CNC1=O
InChIInChI=1S/C10H14N2O/c1-3-5-6-11-9-8(4-2)7-12-10(9)13/h3,5-6H,4,7H2,1-2H3,(H,12,13)/b5-3-,11-6+
InChIKeyQTEJCGXOBFKWMY-GGKXIICKSA-N
XLogP1.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-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 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one (CID 164865323) is 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one is C/C=C\C=N\C1=C(CC)CNC1=O.
What is the InChIKey of 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one?
The InChIKey is QTEJCGXOBFKWMY-GGKXIICKSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-5-6-11-9-8(4-2)7-12-10(9)13/h3,5-6H,4,7H2,1-2H3,(H,12,13)/b5-3-,11-6+.
What are the key properties of 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one?
4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one has a molecular weight of 178.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-but-2-enylidene]amino]-3-ethyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 164865323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).