4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine

C13H13N3O — CID 57029803

IUPAC4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine
SMILESCOc1ccc(/N=C2/C=CC(=[N+]=[N-])CC2)cc1
InChIInChI=1S/C13H13N3O/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10/h2,4,6-9H,3,5H2,1H3/b15-10-
InChIKeyHAPKYZKTWJABIT-GDNBJRDFSA-N
MW227.27 g/mol
LogP2.79
Rot. Bonds2

About 4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine

4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine (PubChem CID 57029803) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine
PubChem CID57029803
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine
SMILESCOc1ccc(/N=C2/C=CC(=[N+]=[N-])CC2)cc1
InChIInChI=1S/C13H13N3O/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10/h2,4,6-9H,3,5H2,1H3/b15-10-
InChIKeyHAPKYZKTWJABIT-GDNBJRDFSA-N
XLogP2.79
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-diazo-3-(4-methoxyphenyl)iminoinden-1-one
CID 134883406
(4-methoxyphenyl)-piperidin-1-yldiazene
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CID 171055873
4-azido-N-(4-methoxyphenyl)aniline
CID 18432095
N-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-imine
CID 19962585
(4-methoxyphenyl)-methyldiazene
CID 20589170
N-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 162286968
N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine
CID 11440319
N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine
CID 138974484
5-(bromomethyl)-N-(4-methoxyphenyl)oxolan-2-imine
CID 11623353
(4R)-4-azido-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-ol
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(E)-N-(4-methoxyphenyl)pent-3-en-2-imine
CID 134838595

Frequently Asked Questions

What is the IUPAC name of 4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine?
The IUPAC name of 4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine (CID 57029803) is 4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine?
The canonical SMILES for 4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine is COc1ccc(/N=C2/C=CC(=[N+]=[N-])CC2)cc1.
What is the InChIKey of 4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine?
The InChIKey is HAPKYZKTWJABIT-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H13N3O/c1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10/h2,4,6-9H,3,5H2,1H3/b15-10-.
What are the key properties of 4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine?
4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine has a molecular weight of 227.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 57029803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).