3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine

C8H8ClN — CID 123770500

IUPAC3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC(Cl)=C/C1=N\C
InChIInChI=1S/C8H8ClN/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1H2,2H3/b10-8+
InChIKeyGSMVDDTUHFCCMQ-CSKARUKUSA-N
MW153.61 g/mol
LogP2.31
Rot. Bonds

About 3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine

3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 123770500) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID123770500
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC(Cl)=C/C1=N\C
InChIInChI=1S/C8H8ClN/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1H2,2H3/b10-8+
InChIKeyGSMVDDTUHFCCMQ-CSKARUKUSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,12-Dichlorobenzo[c][1,5]benzodiazocine
CID 13507302
4-Methyl-2,3-dihydroquinoline
CID 68274032
6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine
CID 91491056
6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine
CID 123435714
(6E)-6-(1-chloropropylidene)-3-(1,1-difluoroethyl)-N-methylcyclohexa-2,4-dien-1-imine
CID 142290673
N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 145222315
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(5Z,7E)-2-chloro-7-fluoro-N-methyl-4-methylidenenona-1,5,7-trien-3-imine
CID 166807621
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine
CID 146245373
(6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
CID 162585419
N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 12553590

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine (CID 123770500) is 3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine is C=C1C=CC(Cl)=C/C1=N\C.
What is the InChIKey of 3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is GSMVDDTUHFCCMQ-CSKARUKUSA-N. The full InChI is InChI=1S/C8H8ClN/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1H2,2H3/b10-8+.
What are the key properties of 3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 153.61 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 123770500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).