(4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine

C8H10ClN — CID 163518027

IUPAC(4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine
SMILES[H]/N=C/C1=CCC(Cl)C=C1C
InChIInChI=1S/C8H10ClN/c1-6-4-8(9)3-2-7(6)5-10/h2,4-5,8,10H,3H2,1H3/b10-5+
InChIKeyDIKWDDZXGUBPIZ-BJMVGYQFSA-N
MW155.63 g/mol
LogP2.52
Rot. Bonds1

About (4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine

(4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 163518027) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is (4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound Name(4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine
PubChem CID163518027
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name(4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine
SMILES[H]/N=C/C1=CCC(Cl)C=C1C
InChIInChI=1S/C8H10ClN/c1-6-4-8(9)3-2-7(6)5-10/h2,4-5,8,10H,3H2,1H3/b10-5+
InChIKeyDIKWDDZXGUBPIZ-BJMVGYQFSA-N
XLogP2.52
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine
CID 89085027
(Z)-5-chloro-2-ethylhept-2-en-1-imine
CID 90764978
1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine
CID 90992265
(E)-3-chloro-2-methylidenepent-3-en-1-imine
CID 118638648
(5-Chloro-6-methanimidoylcyclonona-1,2,4,6,7-pentaen-1-yl)methanimine
CID 123523890
(6-Methylcyclohexa-1,5-dien-1-yl)methanimine
CID 141874302
(2Z,4Z)-4-chloro-3-methylocta-2,4-dien-1-imine
CID 155443755
(2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine
CID 156562697
(2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine
CID 171810963
(2E,5Z)-7-(chloromethyl)-3-ethyl-4-methylideneocta-2,5,7-trien-1-imine
CID 178047791
(Z)-4-chloro-2-methylhept-2-en-1-imine
CID 171811190
(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine
CID 177317779

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of (4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine (CID 163518027) is (4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for (4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for (4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine is [H]/N=C/C1=CCC(Cl)C=C1C.
What is the InChIKey of (4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is DIKWDDZXGUBPIZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6-4-8(9)3-2-7(6)5-10/h2,4-5,8,10H,3H2,1H3/b10-5+.
What are the key properties of (4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine?
(4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 155.63 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methylcyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 163518027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).