1-(3-azidoprop-1-enyl)-3-ethoxybenzene

C11H13N3O — CID 169461665

IUPAC1-(3-azidoprop-1-enyl)-3-ethoxybenzene
SMILESCCOc1cccc(C=CCN=[N+]=[N-])c1
InChIInChI=1S/C11H13N3O/c1-2-15-11-7-3-5-10(9-11)6-4-8-13-14-12/h3-7,9H,2,8H2,1H3
InChIKeyDFNLPYAPYZYRHF-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.41
Rot. Bonds5

About 1-(3-azidoprop-1-enyl)-3-ethoxybenzene

1-(3-azidoprop-1-enyl)-3-ethoxybenzene (PubChem CID 169461665) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(3-azidoprop-1-enyl)-3-ethoxybenzene.

Molecular Properties

Compound Name1-(3-azidoprop-1-enyl)-3-ethoxybenzene
PubChem CID169461665
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(3-azidoprop-1-enyl)-3-ethoxybenzene
SMILESCCOc1cccc(C=CCN=[N+]=[N-])c1
InChIInChI=1S/C11H13N3O/c1-2-15-11-7-3-5-10(9-11)6-4-8-13-14-12/h3-7,9H,2,8H2,1H3
InChIKeyDFNLPYAPYZYRHF-UHFFFAOYSA-N
XLogP3.41
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-azidobut-1-enyl)-3-ethoxybenzene
CID 170485187
1-(3-azidoprop-1-enyl)-4-ethoxybenzene
CID 151962679
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062
1-ethenyl-3-ethoxybenzene
CID 11672687
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
1-ethoxy-3-(2-nitroethenyl)benzene
CID 76912992
N-butyl-1-(3-ethoxyphenyl)methanimine
CID 584358
4-(3-azidoprop-1-enyl)-2-methoxyaniline
CID 169461847
4-[3-(3-azidoprop-1-enyl)phenyl]morpholine
CID 169462503
2-[5-(3-azidoprop-1-enyl)-2-methoxyphenyl]acetic acid
CID 169462549

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidoprop-1-enyl)-3-ethoxybenzene?
The IUPAC name of 1-(3-azidoprop-1-enyl)-3-ethoxybenzene (CID 169461665) is 1-(3-azidoprop-1-enyl)-3-ethoxybenzene.
What is the SMILES notation for 1-(3-azidoprop-1-enyl)-3-ethoxybenzene?
The canonical SMILES for 1-(3-azidoprop-1-enyl)-3-ethoxybenzene is CCOc1cccc(C=CCN=[N+]=[N-])c1.
What is the InChIKey of 1-(3-azidoprop-1-enyl)-3-ethoxybenzene?
The InChIKey is DFNLPYAPYZYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-15-11-7-3-5-10(9-11)6-4-8-13-14-12/h3-7,9H,2,8H2,1H3.
What are the key properties of 1-(3-azidoprop-1-enyl)-3-ethoxybenzene?
1-(3-azidoprop-1-enyl)-3-ethoxybenzene has a molecular weight of 203.24 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidoprop-1-enyl)-3-ethoxybenzene is sourced from PubChem (CID 169461665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).