1-(3-azidoprop-1-enyl)-2-phenylbenzene

C15H13N3 — CID 150043798

IUPAC1-(3-azidoprop-1-enyl)-2-phenylbenzene
SMILES[N-]=[N+]=NCC=Cc1ccccc1-c1ccccc1
InChIInChI=1S/C15H13N3/c16-18-17-12-6-10-14-9-4-5-11-15(14)13-7-2-1-3-8-13/h1-11H,12H2
InChIKeyDJVPMAAFQFSYJM-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.68
Rot. Bonds4

About 1-(3-azidoprop-1-enyl)-2-phenylbenzene

1-(3-azidoprop-1-enyl)-2-phenylbenzene (PubChem CID 150043798) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(3-azidoprop-1-enyl)-2-phenylbenzene.

Molecular Properties

Compound Name1-(3-azidoprop-1-enyl)-2-phenylbenzene
PubChem CID150043798
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name1-(3-azidoprop-1-enyl)-2-phenylbenzene
SMILES[N-]=[N+]=NCC=Cc1ccccc1-c1ccccc1
InChIInChI=1S/C15H13N3/c16-18-17-12-6-10-14-9-4-5-11-15(14)13-7-2-1-3-8-13/h1-11H,12H2
InChIKeyDJVPMAAFQFSYJM-UHFFFAOYSA-N
XLogP4.68
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.68
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-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
1-(3-azidoprop-1-enyl)-2-(bromomethyl)benzene
CID 169462718
1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
CID 13307769
2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride
CID 169462001
1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene
CID 151010304
2-(3-azidoprop-1-enyl)-6-chlorobenzoic acid
CID 169461967
2-(3-azidoprop-1-enyl)benzenesulfonamide
CID 169462115
1,2-bis[2-(2-phenylphenyl)ethenyl]benzene
CID 141477153
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol
CID 169461646
N-methyl-3-(2-phenylphenyl)prop-2-en-1-amine
CID 169474332

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidoprop-1-enyl)-2-phenylbenzene?
The IUPAC name of 1-(3-azidoprop-1-enyl)-2-phenylbenzene (CID 150043798) is 1-(3-azidoprop-1-enyl)-2-phenylbenzene.
What is the SMILES notation for 1-(3-azidoprop-1-enyl)-2-phenylbenzene?
The canonical SMILES for 1-(3-azidoprop-1-enyl)-2-phenylbenzene is [N-]=[N+]=NCC=Cc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(3-azidoprop-1-enyl)-2-phenylbenzene?
The InChIKey is DJVPMAAFQFSYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-18-17-12-6-10-14-9-4-5-11-15(14)13-7-2-1-3-8-13/h1-11H,12H2.
What are the key properties of 1-(3-azidoprop-1-enyl)-2-phenylbenzene?
1-(3-azidoprop-1-enyl)-2-phenylbenzene has a molecular weight of 235.29 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidoprop-1-enyl)-2-phenylbenzene is sourced from PubChem (CID 150043798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).