(6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine

C9H7Cl2N — CID 172537223

IUPAC(6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(Cl)C=C\C1=C(/Cl)C=C
InChIInChI=1S/C9H7Cl2N/c1-2-8(11)7-4-3-6(10)5-9(7)12/h2-5,12H,1H2/b8-7+,12-9+
InChIKeyFIKFKPWUNBNIAB-ANKZSMJWSA-N
MW200.07 g/mol
LogP3.38
Rot. Bonds1

About (6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine

(6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 172537223) has the molecular formula C9H7Cl2N and a molecular weight of 200.07 g/mol. Its IUPAC name is (6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
PubChem CID172537223
Molecular FormulaC9H7Cl2N
Molecular Weight200.07 g/mol
Exact Mass199.00
IUPAC Name(6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(Cl)C=C\C1=C(/Cl)C=C
InChIInChI=1S/C9H7Cl2N/c1-2-8(11)7-4-3-6(10)5-9(7)12/h2-5,12H,1H2/b8-7+,12-9+
InChIKeyFIKFKPWUNBNIAB-ANKZSMJWSA-N
XLogP3.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methylenecyclohexa-2,4-dienimine
CID 10909510
(6E)-3-chloro-6-ethylidene-5-fluorocyclohexa-2,4-dien-1-imine
CID 144524408
1-Cyclohexa-1,5-dien-1-ylethanimine
CID 20750402
2-Chlorocyclohexa-2,4-dien-1-imine
CID 22671008
6-Ethylidenecyclohexa-2,4-dien-1-imine
CID 67490002
4-Chlorocyclohexa-2,4-dien-1-imine
CID 67573397
3,4-Dichlorocyclohexa-2,4-dien-1-imine
CID 68125772
6,6-Dichloro-4-methylcyclohexa-2,4-dien-1-imine
CID 70121451
6,6-Dichlorocyclohexa-2,4-dien-1-imine
CID 70123021
(2-Methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium chloride
CID 87948862
(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 89086016
(5E)-3-methylideneundeca-1,5,7,8,10-pentaen-4-imine
CID 89196194

Frequently Asked Questions

What is the IUPAC name of (6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine (CID 172537223) is (6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=C(Cl)C=C\C1=C(/Cl)C=C.
What is the InChIKey of (6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is FIKFKPWUNBNIAB-ANKZSMJWSA-N. The full InChI is InChI=1S/C9H7Cl2N/c1-2-8(11)7-4-3-6(10)5-9(7)12/h2-5,12H,1H2/b8-7+,12-9+.
What are the key properties of (6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine?
(6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 200.07 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-chloro-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 172537223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).