(4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide

C10H14ClNO — CID 156886780

IUPAC(4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide
SMILESC=C(Cl)/C=C\C(=C/C)CCC(N)=O
InChIInChI=1S/C10H14ClNO/c1-3-9(5-4-8(2)11)6-7-10(12)13/h3-5H,2,6-7H2,1H3,(H2,12,13)/b5-4-,9-3+
InChIKeyXBQSCXXYCZVZJP-SMPMWSNWSA-N
MW199.68 g/mol
LogP2.51
Rot. Bonds5

About (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide

(4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide (PubChem CID 156886780) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide.

Molecular Properties

Compound Name(4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide
PubChem CID156886780
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide
SMILESC=C(Cl)/C=C\C(=C/C)CCC(N)=O
InChIInChI=1S/C10H14ClNO/c1-3-9(5-4-8(2)11)6-7-10(12)13/h3-5H,2,6-7H2,1H3,(H2,12,13)/b5-4-,9-3+
InChIKeyXBQSCXXYCZVZJP-SMPMWSNWSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one
CID 156886752
(3Z)-5-chlorohexa-1,3,5-trien-2-amine
CID 134351965
butanediamide;molybdenum
CID 161333962
butanediamide;hydrobromide
CID 158484059
(5Z,6Z)-8-chloro-5-ethylidene-7-methylnona-6,8-dien-2-one
CID 156886732
butanediamide;ethane;molecular hydrogen
CID 144732954
2-chloro-5-methylhepta-1,3,5-triene
CID 123971323
2-chloropenta-1,3-diene;pent-3-en-2-one
CID 163430879
1-[(2E,3Z)-5-chloro-2-ethylidenehexa-3,5-dienyl]-3-[(1E,3E)-4-methylhexa-1,3-dienyl]urea
CID 156824725
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
6-chlorohepta-2,4,6-trien-3-ylazanium
CID 163699739
bis(butanediamide);sulfur dioxide
CID 175182532

Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide?
The IUPAC name of (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide (CID 156886780) is (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide.
What is the SMILES notation for (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide?
The canonical SMILES for (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide is C=C(Cl)/C=C\C(=C/C)CCC(N)=O.
What is the InChIKey of (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide?
The InChIKey is XBQSCXXYCZVZJP-SMPMWSNWSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-9(5-4-8(2)11)6-7-10(12)13/h3-5H,2,6-7H2,1H3,(H2,12,13)/b5-4-,9-3+.
What are the key properties of (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide?
(4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide has a molecular weight of 199.68 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-7-chloro-4-ethylideneocta-5,7-dienamide is sourced from PubChem (CID 156886780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).