(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine

C9H8ClN — CID 89086016

IUPAC(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C(/Cl)C=C
InChIInChI=1S/C9H8ClN/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,11H,1H2/b8-7+,11-9+
InChIKeyKOBMDCLOVDPPQE-MFDVASPDSA-N
MW165.62 g/mol
LogP2.81
Rot. Bonds1

About (6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine

(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 89086016) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is (6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
PubChem CID89086016
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Name(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C(/Cl)C=C
InChIInChI=1S/C9H8ClN/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,11H,1H2/b8-7+,11-9+
InChIKeyKOBMDCLOVDPPQE-MFDVASPDSA-N
XLogP2.81
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine (CID 89086016) is (6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C\C1=C(/Cl)C=C.
What is the InChIKey of (6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is KOBMDCLOVDPPQE-MFDVASPDSA-N. The full InChI is InChI=1S/C9H8ClN/c1-2-8(10)7-5-3-4-6-9(7)11/h2-6,11H,1H2/b8-7+,11-9+.
What are the key properties of (6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 165.62 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 89086016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).