4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine

C7H6ClN — CID 122662801

IUPAC4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(Cl)=CC1=C
InChIInChI=1S/C7H6ClN/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H2/b9-7+
InChIKeyPOHZLICBVFDSKR-VQHVLOKHSA-N
MW139.58 g/mol
LogP2.25
Rot. Bonds

About 4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine

4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 122662801) has the molecular formula C7H6ClN and a molecular weight of 139.58 g/mol. Its IUPAC name is 4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID122662801
Molecular FormulaC7H6ClN
Molecular Weight139.58 g/mol
Exact Mass139.02
IUPAC Name4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(Cl)=CC1=C
InChIInChI=1S/C7H6ClN/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H2/b9-7+
InChIKeyPOHZLICBVFDSKR-VQHVLOKHSA-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine (CID 122662801) is 4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC(Cl)=CC1=C.
What is the InChIKey of 4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is POHZLICBVFDSKR-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H6ClN/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H2/b9-7+.
What are the key properties of 4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine?
4-chloro-6-methylidenecyclohexa-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 4-chloro-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 122662801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).