1-(1-azidoethenyl)-2-(4-methylphenyl)benzene

C15H13N3 — CID 138968743

IUPAC1-(1-azidoethenyl)-2-(4-methylphenyl)benzene
SMILESC=C(N=[N+]=[N-])c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C15H13N3/c1-11-7-9-13(10-8-11)15-6-4-3-5-14(15)12(2)17-18-16/h3-10H,2H2,1H3
InChIKeyZIYPRPIFDNSZLQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.94
Rot. Bonds3

About 1-(1-azidoethenyl)-2-(4-methylphenyl)benzene

1-(1-azidoethenyl)-2-(4-methylphenyl)benzene (PubChem CID 138968743) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(1-azidoethenyl)-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(1-azidoethenyl)-2-(4-methylphenyl)benzene
PubChem CID138968743
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name1-(1-azidoethenyl)-2-(4-methylphenyl)benzene
SMILESC=C(N=[N+]=[N-])c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C15H13N3/c1-11-7-9-13(10-8-11)15-6-4-3-5-14(15)12(2)17-18-16/h3-10H,2H2,1H3
InChIKeyZIYPRPIFDNSZLQ-UHFFFAOYSA-N
XLogP4.94
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Azidobiphenyl
CID 82074
Benzene, 1,1'-(azidomethylene)bis-
CID 145979
2-(Azidomethyl)naphthalene
CID 10442365
1-(Azidomethyl)-4-phenylbenzene
CID 11031077
3,3-Diphenyl-5-methyl-3H-pyrazole
CID 605783
4-Azido-1,1'-biphenyl
CID 92281
1-(2-Azidopropan-2-yl)-4-ethyl-2-methylbenzene
CID 122549958
Benzene, (1-azido-1-methylethyl)-
CID 577098
3,3-Dimethyl-5-phenyl-3H-pyrazole
CID 582268
(1-Azidocyclohexyl)benzene
CID 2769487
(1-Azido-1-phenylethyl)benzene
CID 2769488
1-(Azidomethyl)-2-methylbenzene
CID 11040842

Frequently Asked Questions

What is the IUPAC name of 1-(1-azidoethenyl)-2-(4-methylphenyl)benzene?
The IUPAC name of 1-(1-azidoethenyl)-2-(4-methylphenyl)benzene (CID 138968743) is 1-(1-azidoethenyl)-2-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(1-azidoethenyl)-2-(4-methylphenyl)benzene?
The canonical SMILES for 1-(1-azidoethenyl)-2-(4-methylphenyl)benzene is C=C(N=[N+]=[N-])c1ccccc1-c1ccc(C)cc1.
What is the InChIKey of 1-(1-azidoethenyl)-2-(4-methylphenyl)benzene?
The InChIKey is ZIYPRPIFDNSZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-7-9-13(10-8-11)15-6-4-3-5-14(15)12(2)17-18-16/h3-10H,2H2,1H3.
What are the key properties of 1-(1-azidoethenyl)-2-(4-methylphenyl)benzene?
1-(1-azidoethenyl)-2-(4-methylphenyl)benzene has a molecular weight of 235.29 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azidoethenyl)-2-(4-methylphenyl)benzene is sourced from PubChem (CID 138968743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).