(E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine

C10H14ClN — CID 89085027

IUPAC(E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine
SMILES[H]/N=C/C(=C\C=C\Cl)/C=C/CCC
InChIInChI=1S/C10H14ClN/c1-2-3-4-6-10(9-12)7-5-8-11/h4-9,12H,2-3H2,1H3/b6-4+,8-5+,10-7-,12-9+
InChIKeyHKQJWWMMMOOWLN-XTGQLZEOSA-N
MW183.68 g/mol
LogP3.67
Rot. Bonds5

About (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine

(E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine (PubChem CID 89085027) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine.

Molecular Properties

Compound Name(E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine
PubChem CID89085027
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name(E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine
SMILES[H]/N=C/C(=C\C=C\Cl)/C=C/CCC
InChIInChI=1S/C10H14ClN/c1-2-3-4-6-10(9-12)7-5-8-11/h4-9,12H,2-3H2,1H3/b6-4+,8-5+,10-7-,12-9+
InChIKeyHKQJWWMMMOOWLN-XTGQLZEOSA-N
XLogP3.67
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.67
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 (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-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 (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine?
The IUPAC name of (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine (CID 89085027) is (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine.
What is the SMILES notation for (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine?
The canonical SMILES for (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine is [H]/N=C/C(=C\C=C\Cl)/C=C/CCC.
What is the InChIKey of (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine?
The InChIKey is HKQJWWMMMOOWLN-XTGQLZEOSA-N. The full InChI is InChI=1S/C10H14ClN/c1-2-3-4-6-10(9-12)7-5-8-11/h4-9,12H,2-3H2,1H3/b6-4+,8-5+,10-7-,12-9+.
What are the key properties of (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine?
(E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine has a molecular weight of 183.68 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine is sourced from PubChem (CID 89085027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).