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

C7H6ClN — CID 11768650

IUPAC(6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C/Cl
InChIInChI=1S/C7H6ClN/c8-5-6-3-1-2-4-7(6)9/h1-5,9H/b6-5+,9-7+
InChIKeyZQRZTDUORARTHJ-SBIWHPGTSA-N
MW139.58 g/mol
LogP2.25
Rot. Bonds

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

(6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 11768650) has the molecular formula C7H6ClN and a molecular weight of 139.58 g/mol. Its IUPAC name is (6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine
PubChem CID11768650
Molecular FormulaC7H6ClN
Molecular Weight139.58 g/mol
Exact Mass139.02
IUPAC Name(6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C/Cl
InChIInChI=1S/C7H6ClN/c8-5-6-3-1-2-4-7(6)9/h1-5,9H/b6-5+,9-7+
InChIKeyZQRZTDUORARTHJ-SBIWHPGTSA-N
XLogP2.25
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 52.25
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
2-Chlorocyclohexa-2,4-dien-1-imine
CID 22671008
4-Chlorocyclohexa-2,4-dien-1-imine
CID 67573397
2-(Chloromethyl)cyclohexa-2,4-dien-1-imine
CID 68905969
6,6-Dichloro-4-methylcyclohexa-2,4-dien-1-imine
CID 70121451
6-Chlorocyclohexa-2,4-dien-1-imine
CID 85838799
(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 89086016
4-Chloro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 122662801
(4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine
CID 123209929
(E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine
CID 135190246
5-Chlorocyclohexa-2,4-dien-1-imine
CID 141270279
4-Chloro-3-methylcyclohexa-3,5-diene-1,2-diimine
CID 142242918

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine (CID 11768650) is (6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C\C1=C/Cl.
What is the InChIKey of (6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is ZQRZTDUORARTHJ-SBIWHPGTSA-N. The full InChI is InChI=1S/C7H6ClN/c8-5-6-3-1-2-4-7(6)9/h1-5,9H/b6-5+,9-7+.
What are the key properties of (6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine?
(6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 139.58 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(chloromethylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 11768650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).