1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione

C12H17NO2 — CID 10560261

IUPAC1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione
SMILESC/C=C/CCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C12H17NO2/c1-4-5-6-7-8-13-11(14)9(2)10(3)12(13)15/h4-5H,6-8H2,1-3H3/b5-4+
InChIKeyKNZJMXCNGCVWIK-SNAWJCMRSA-N
MW207.27 g/mol
LogP2.05
Rot. Bonds4

About 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione

1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 10560261) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione
PubChem CID10560261
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione
SMILESC/C=C/CCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C12H17NO2/c1-4-5-6-7-8-13-11(14)9(2)10(3)12(13)15/h4-5H,6-8H2,1-3H3/b5-4+
InChIKeyKNZJMXCNGCVWIK-SNAWJCMRSA-N
XLogP2.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione 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 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione (CID 10560261) is 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione is C/C=C/CCCN1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is KNZJMXCNGCVWIK-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-5-6-7-8-13-11(14)9(2)10(3)12(13)15/h4-5H,6-8H2,1-3H3/b5-4+.
What are the key properties of 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione?
1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-4-enyl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 10560261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).