(6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine

C13H16ClN — CID 123508351

IUPAC(6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCC(C)\C1=C1\CC=C(Cl)CC1
InChIInChI=1S/C13H16ClN/c1-9-3-2-4-12(15)13(9)10-5-7-11(14)8-6-10/h2,4,7,9,15H,3,5-6,8H2,1H3/b13-10+,15-12+
InChIKeyZNBAWBGSHBVUHB-WZDZGYJVSA-N
MW221.73 g/mol
LogP4.21
Rot. Bonds

About (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine

(6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine (PubChem CID 123508351) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name(6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine
PubChem CID123508351
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name(6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCC(C)\C1=C1\CC=C(Cl)CC1
InChIInChI=1S/C13H16ClN/c1-9-3-2-4-12(15)13(9)10-5-7-11(14)8-6-10/h2,4,7,9,15H,3,5-6,8H2,1H3/b13-10+,15-12+
InChIKeyZNBAWBGSHBVUHB-WZDZGYJVSA-N
XLogP4.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine with MolForge

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Related Compounds

5-Chloro-4-ethylcyclohex-2-en-1-imine
CID 91190445
(6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine
CID 123201582
8-methyl-4a,7-dihydro-4H-naphthalen-1-imine
CID 123327530
3-(1-Chloroethyl)-5,6-dimethylhept-2-en-4-imine
CID 123632512
4-Chloro-5,5-dimethylcyclohex-2-en-1-imine
CID 123737863
(E)-1-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)-3-cyclopropyl-2-methylbut-2-en-1-imine
CID 129120179
(5R,6R)-6-(2-chloroethyl)-5,6-dimethylcyclohex-2-en-1-imine
CID 134177812
(4-Chlorocyclohexa-2,4-dien-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanimine
CID 147951634
6-(4-Chlorobut-1-en-2-yl)-3-methylcyclohexa-2,4-dien-1-imine
CID 166774869
(3E,9Z)-3,10-dichloro-4,5-dimethylundeca-3,9-dien-2-imine
CID 169666311

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine?
The IUPAC name of (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine (CID 123508351) is (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine.
What is the SMILES notation for (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine?
The canonical SMILES for (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine is [H]/N=C1\C=CCC(C)\C1=C1\CC=C(Cl)CC1.
What is the InChIKey of (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine?
The InChIKey is ZNBAWBGSHBVUHB-WZDZGYJVSA-N. The full InChI is InChI=1S/C13H16ClN/c1-9-3-2-4-12(15)13(9)10-5-7-11(14)8-6-10/h2,4,7,9,15H,3,5-6,8H2,1H3/b13-10+,15-12+.
What are the key properties of (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine?
(6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine has a molecular weight of 221.73 g/mol, XLogP of 4.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 123508351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).