(3E)-3-(chloromethylidene)cyclohexene

C7H9Cl — CID 10011917

IUPAC(3E)-3-(chloromethylidene)cyclohexene
SMILESCl/C=C1/C=CCCC1
InChIInChI=1S/C7H9Cl/c8-6-7-4-2-1-3-5-7/h2,4,6H,1,3,5H2/b7-6-
InChIKeyDJWRLOGSCWTZTQ-SREVYHEPSA-N
MW128.60 g/mol
LogP2.85
Rot. Bonds

About (3E)-3-(chloromethylidene)cyclohexene

(3E)-3-(chloromethylidene)cyclohexene (PubChem CID 10011917) has the molecular formula C7H9Cl and a molecular weight of 128.60 g/mol. Its IUPAC name is (3E)-3-(chloromethylidene)cyclohexene.

Molecular Properties

Compound Name(3E)-3-(chloromethylidene)cyclohexene
PubChem CID10011917
Molecular FormulaC7H9Cl
Molecular Weight128.60 g/mol
Exact Mass128.04
IUPAC Name(3E)-3-(chloromethylidene)cyclohexene
SMILESCl/C=C1/C=CCCC1
InChIInChI=1S/C7H9Cl/c8-6-7-4-2-1-3-5-7/h2,4,6H,1,3,5H2/b7-6-
InChIKeyDJWRLOGSCWTZTQ-SREVYHEPSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.60
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(E,4E)-4-cyclohex-2-en-1-ylidene-3-methylbut-2-enal
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cyclohex-2-en-1-one;dihydrochloride
CID 21391808
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CID 123578884
CID 68518361
CID 68518361
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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(chloromethylidene)cyclohexene?
The IUPAC name of (3E)-3-(chloromethylidene)cyclohexene (CID 10011917) is (3E)-3-(chloromethylidene)cyclohexene.
What is the SMILES notation for (3E)-3-(chloromethylidene)cyclohexene?
The canonical SMILES for (3E)-3-(chloromethylidene)cyclohexene is Cl/C=C1/C=CCCC1.
What is the InChIKey of (3E)-3-(chloromethylidene)cyclohexene?
The InChIKey is DJWRLOGSCWTZTQ-SREVYHEPSA-N. The full InChI is InChI=1S/C7H9Cl/c8-6-7-4-2-1-3-5-7/h2,4,6H,1,3,5H2/b7-6-.
What are the key properties of (3E)-3-(chloromethylidene)cyclohexene?
(3E)-3-(chloromethylidene)cyclohexene has a molecular weight of 128.60 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(chloromethylidene)cyclohexene is sourced from PubChem (CID 10011917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).