(5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine

C8H10ClN — CID 143563709

IUPAC(5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine
SMILES[H]/N=C(\C=C)C(=C)/C(Cl)=C\C
InChIInChI=1S/C8H10ClN/c1-4-7(9)6(3)8(10)5-2/h4-5,10H,2-3H2,1H3/b7-4+,10-8+
InChIKeySMXSMCYNMHMWKP-DAAQNPAKSA-N
MW155.63 g/mol
LogP2.89
Rot. Bonds3

About (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine

(5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine (PubChem CID 143563709) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine.

Molecular Properties

Compound Name(5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine
PubChem CID143563709
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name(5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine
SMILES[H]/N=C(\C=C)C(=C)/C(Cl)=C\C
InChIInChI=1S/C8H10ClN/c1-4-7(9)6(3)8(10)5-2/h4-5,10H,2-3H2,1H3/b7-4+,10-8+
InChIKeySMXSMCYNMHMWKP-DAAQNPAKSA-N
XLogP2.89
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine 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 (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine?
The IUPAC name of (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine (CID 143563709) is (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine.
What is the SMILES notation for (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine?
The canonical SMILES for (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine is [H]/N=C(\C=C)C(=C)/C(Cl)=C\C.
What is the InChIKey of (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine?
The InChIKey is SMXSMCYNMHMWKP-DAAQNPAKSA-N. The full InChI is InChI=1S/C8H10ClN/c1-4-7(9)6(3)8(10)5-2/h4-5,10H,2-3H2,1H3/b7-4+,10-8+.
What are the key properties of (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine?
(5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine has a molecular weight of 155.63 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-chloro-4-methylidenehepta-1,5-dien-3-imine is sourced from PubChem (CID 143563709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).