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

C14H15N3O — CID 56999714

IUPAC4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine
SMILESCCOc1ccc(/N=C2\C=CC(=[N+]=[N-])CC2)cc1
InChIInChI=1S/C14H15N3O/c1-2-18-14-9-7-12(8-10-14)16-11-3-5-13(17-15)6-4-11/h3,5,7-10H,2,4,6H2,1H3/b16-11+
InChIKeyGETKKCMADSKQBV-LFIBNONCSA-N
MW241.29 g/mol
LogP3.18
Rot. Bonds3

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

4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine (PubChem CID 56999714) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine
PubChem CID56999714
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine
SMILESCCOc1ccc(/N=C2\C=CC(=[N+]=[N-])CC2)cc1
InChIInChI=1S/C14H15N3O/c1-2-18-14-9-7-12(8-10-14)16-11-3-5-13(17-15)6-4-11/h3,5,7-10H,2,4,6H2,1H3/b16-11+
InChIKeyGETKKCMADSKQBV-LFIBNONCSA-N
XLogP3.18
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.18
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

4-N-(4-ethoxyphenyl)cyclohexa-2,5-diene-1,4-diimine
CID 15123516
5-(4-ethoxyphenyl)iminofuran-2-one
CID 86113830
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
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1-(2,4-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 600803
1-(3-azidoprop-1-enyl)-4-ethoxybenzene
CID 151962679
2-(4-ethoxyphenyl)-1,1,3,3-tetramethylguanidine
CID 525247
N-(4-ethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 170838336
1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen
CID 70564094
3-(4-ethoxyphenyl)cyclopent-2-en-1-one
CID 39240486
7-ethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;dihydrochloride
CID 159371166
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397

Frequently Asked Questions

What is the IUPAC name of 4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine?
The IUPAC name of 4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine (CID 56999714) is 4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine?
The canonical SMILES for 4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine is CCOc1ccc(/N=C2\C=CC(=[N+]=[N-])CC2)cc1.
What is the InChIKey of 4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine?
The InChIKey is GETKKCMADSKQBV-LFIBNONCSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-18-14-9-7-12(8-10-14)16-11-3-5-13(17-15)6-4-11/h3,5,7-10H,2,4,6H2,1H3/b16-11+.
What are the key properties of 4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine?
4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine has a molecular weight of 241.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 56999714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).