N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine

C13H13N — CID 163697540

IUPACN-(3-methylphenyl)cyclohexa-2,4-dien-1-imine
SMILESCc1cccc(/N=C2/C=CC=CC2)c1
InChIInChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-7,9-10H,8H2,1H3/b14-12-
InChIKeyJYERGIISHZDXMP-OWBHPGMISA-N
MW183.25 g/mol
LogP3.58
Rot. Bonds1

About N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine

N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine (PubChem CID 163697540) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-(3-methylphenyl)cyclohexa-2,4-dien-1-imine
PubChem CID163697540
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC NameN-(3-methylphenyl)cyclohexa-2,4-dien-1-imine
SMILESCc1cccc(/N=C2/C=CC=CC2)c1
InChIInChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-7,9-10H,8H2,1H3/b14-12-
InChIKeyJYERGIISHZDXMP-OWBHPGMISA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
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 N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine (CID 163697540) is N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine is Cc1cccc(/N=C2/C=CC=CC2)c1.
What is the InChIKey of N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is JYERGIISHZDXMP-OWBHPGMISA-N. The full InChI is InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-7,9-10H,8H2,1H3/b14-12-.
What are the key properties of N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine?
N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 183.25 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 163697540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).