(2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane

C13H21NO — CID 143520595

IUPAC(2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane
SMILESC=C/C(=C\C(=C)C)C(=O)NC1CC1.CC
InChIInChI=1S/C11H15NO.C2H6/c1-4-9(7-8(2)3)11(13)12-10-5-6-10;1-2/h4,7,10H,1-2,5-6H2,3H3,(H,12,13);1-2H3/b9-7+;
InChIKeyJSARSQRVZDHQMO-BXTVWIJMSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds4

About (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane

(2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane (PubChem CID 143520595) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane.

Molecular Properties

Compound Name(2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane
PubChem CID143520595
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane
SMILESC=C/C(=C\C(=C)C)C(=O)NC1CC1.CC
InChIInChI=1S/C11H15NO.C2H6/c1-4-9(7-8(2)3)11(13)12-10-5-6-10;1-2/h4,7,10H,1-2,5-6H2,3H3,(H,12,13);1-2H3/b9-7+;
InChIKeyJSARSQRVZDHQMO-BXTVWIJMSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane 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 (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane?
The IUPAC name of (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane (CID 143520595) is (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane.
What is the SMILES notation for (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane?
The canonical SMILES for (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane is C=C/C(=C\C(=C)C)C(=O)NC1CC1.CC.
What is the InChIKey of (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane?
The InChIKey is JSARSQRVZDHQMO-BXTVWIJMSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-4-9(7-8(2)3)11(13)12-10-5-6-10;1-2/h4,7,10H,1-2,5-6H2,3H3,(H,12,13);1-2H3/b9-7+;.
What are the key properties of (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane?
(2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane has a molecular weight of 207.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-cyclopropyl-2-ethenyl-4-methylpenta-2,4-dienamide;ethane is sourced from PubChem (CID 143520595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).