1-(3-azidoprop-1-enyl)-4-chlorobenzene

C9H8ClN3 — CID 141280694

IUPAC1-(3-azidoprop-1-enyl)-4-chlorobenzene
SMILES[N-]=[N+]=NCC=Cc1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN3/c10-9-5-3-8(4-6-9)2-1-7-12-13-11/h1-6H,7H2
InChIKeyKKURZDVVAYHDOH-UHFFFAOYSA-N
MW193.64 g/mol
LogP3.66
Rot. Bonds3

About 1-(3-azidoprop-1-enyl)-4-chlorobenzene

1-(3-azidoprop-1-enyl)-4-chlorobenzene (PubChem CID 141280694) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 1-(3-azidoprop-1-enyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(3-azidoprop-1-enyl)-4-chlorobenzene
PubChem CID141280694
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name1-(3-azidoprop-1-enyl)-4-chlorobenzene
SMILES[N-]=[N+]=NCC=Cc1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN3/c10-9-5-3-8(4-6-9)2-1-7-12-13-11/h1-6H,7H2
InChIKeyKKURZDVVAYHDOH-UHFFFAOYSA-N
XLogP3.66
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 53.66
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

4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
CID 169461583
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
6-(3-azidoprop-1-enyl)-2-chloro-1,3-benzothiazole
CID 169461926
1-(3-azidoprop-1-enyl)-4-ethoxybenzene
CID 151962679
1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene
CID 169461946
4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
CID 169462676
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene
CID 169461658
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
CID 169461630
2-[5-(3-azidoprop-1-enyl)-2-fluorophenyl]acetonitrile
CID 169462095
1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene
CID 169461587

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidoprop-1-enyl)-4-chlorobenzene?
The IUPAC name of 1-(3-azidoprop-1-enyl)-4-chlorobenzene (CID 141280694) is 1-(3-azidoprop-1-enyl)-4-chlorobenzene.
What is the SMILES notation for 1-(3-azidoprop-1-enyl)-4-chlorobenzene?
The canonical SMILES for 1-(3-azidoprop-1-enyl)-4-chlorobenzene is [N-]=[N+]=NCC=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(3-azidoprop-1-enyl)-4-chlorobenzene?
The InChIKey is KKURZDVVAYHDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-9-5-3-8(4-6-9)2-1-7-12-13-11/h1-6H,7H2.
What are the key properties of 1-(3-azidoprop-1-enyl)-4-chlorobenzene?
1-(3-azidoprop-1-enyl)-4-chlorobenzene has a molecular weight of 193.64 g/mol, XLogP of 3.66, 3 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)-4-chlorobenzene is sourced from PubChem (CID 141280694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).