1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene

C13H17N3 — CID 169461946

IUPAC1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C=CCN=[N+]=[N-])cc1
InChIInChI=1S/C13H17N3/c1-11(2)10-13-7-5-12(6-8-13)4-3-9-15-16-14/h3-8,11H,9-10H2,1-2H3
InChIKeyZUWPIHCLRUVCHW-UHFFFAOYSA-N
MW215.30 g/mol
LogP4.21
Rot. Bonds5

About 1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene

1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene (PubChem CID 169461946) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene
PubChem CID169461946
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C=CCN=[N+]=[N-])cc1
InChIInChI=1S/C13H17N3/c1-11(2)10-13-7-5-12(6-8-13)4-3-9-15-16-14/h3-8,11H,9-10H2,1-2H3
InChIKeyZUWPIHCLRUVCHW-UHFFFAOYSA-N
XLogP4.21
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 54.21
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

1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene
CID 169461658
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
1-[4-(3-azidoprop-1-enyl)phenyl]-2-methylpropan-1-one
CID 169462265
1-(3-azidoprop-1-enyl)-4-ethoxybenzene
CID 151962679
4-[4-(2-methylpropyl)phenyl]but-3-enal
CID 170482081
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
1-(2-methylpropyl)-4-[(Z)-prop-1-enyl]benzene
CID 142899805
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
CID 169462676
2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol
CID 169462877
5-(3-azidoprop-1-enyl)-2-fluoropyridine
CID 169461269
2-azido-1-[4-(2-methylpropyl)phenyl]ethanol
CID 80503327

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene (CID 169461946) is 1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(C=CCN=[N+]=[N-])cc1.
What is the InChIKey of 1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene?
The InChIKey is ZUWPIHCLRUVCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11(2)10-13-7-5-12(6-8-13)4-3-9-15-16-14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene?
1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene has a molecular weight of 215.30 g/mol, XLogP of 4.21, 5 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-(2-methylpropyl)benzene is sourced from PubChem (CID 169461946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).