1-(1-azidoethenyl)-4-pentylbenzene

C13H17N3 — CID 176909634

IUPAC1-(1-azidoethenyl)-4-pentylbenzene
SMILESC=C(N=[N+]=[N-])c1ccc(CCCCC)cc1
InChIInChI=1S/C13H17N3/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)15-16-14/h7-10H,2-6H2,1H3
InChIKeyJUUUXKYODQNGNL-UHFFFAOYSA-N
MW215.30 g/mol
LogP4.70
Rot. Bonds6

About 1-(1-azidoethenyl)-4-pentylbenzene

1-(1-azidoethenyl)-4-pentylbenzene (PubChem CID 176909634) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(1-azidoethenyl)-4-pentylbenzene.

Molecular Properties

Compound Name1-(1-azidoethenyl)-4-pentylbenzene
PubChem CID176909634
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(1-azidoethenyl)-4-pentylbenzene
SMILESC=C(N=[N+]=[N-])c1ccc(CCCCC)cc1
InChIInChI=1S/C13H17N3/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)15-16-14/h7-10H,2-6H2,1H3
InChIKeyJUUUXKYODQNGNL-UHFFFAOYSA-N
XLogP4.70
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

1-(2-azidoethyl)-4-hexylbenzene
CID 142738236
1-(3-fluoroprop-1-en-2-yl)-4-pentylbenzene
CID 134447420
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
1-(4-pentylphenyl)ethanethione
CID 145379251
4-pentylbenzoyl bromide
CID 87349955
N-hydroxy-4-pentylbenzenecarboximidoyl chloride
CID 145299970
1-butyl-4-nonylbenzene
CID 59545302
2-(4-butylphenyl)prop-2-en-1-ol
CID 58735370
1-(2-chloroprop-2-enyl)-4-pentylbenzene
CID 24721931
methyl 2-(4-pentylphenyl)prop-2-enoate
CID 139878463
CID 57470906
CID 57470906
(4-pentylbenzoyl) 4-pentylbenzoate
CID 12513442

Frequently Asked Questions

What is the IUPAC name of 1-(1-azidoethenyl)-4-pentylbenzene?
The IUPAC name of 1-(1-azidoethenyl)-4-pentylbenzene (CID 176909634) is 1-(1-azidoethenyl)-4-pentylbenzene.
What is the SMILES notation for 1-(1-azidoethenyl)-4-pentylbenzene?
The canonical SMILES for 1-(1-azidoethenyl)-4-pentylbenzene is C=C(N=[N+]=[N-])c1ccc(CCCCC)cc1.
What is the InChIKey of 1-(1-azidoethenyl)-4-pentylbenzene?
The InChIKey is JUUUXKYODQNGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)15-16-14/h7-10H,2-6H2,1H3.
What are the key properties of 1-(1-azidoethenyl)-4-pentylbenzene?
1-(1-azidoethenyl)-4-pentylbenzene has a molecular weight of 215.30 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azidoethenyl)-4-pentylbenzene is sourced from PubChem (CID 176909634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).