[(E)-5-azido-1-methoxypent-3-enyl]benzene

C12H15N3O — CID 71528650

IUPAC[(E)-5-azido-1-methoxypent-3-enyl]benzene
SMILESCOC(C/C=C/CN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C12H15N3O/c1-16-12(9-5-6-10-14-15-13)11-7-3-2-4-8-11/h2-8,12H,9-10H2,1H3/b6-5+
InChIKeyBRGJEZPQDHGYQD-AATRIKPKSA-N
MW217.27 g/mol
LogP3.63
Rot. Bonds6

About [(E)-5-azido-1-methoxypent-3-enyl]benzene

[(E)-5-azido-1-methoxypent-3-enyl]benzene (PubChem CID 71528650) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [(E)-5-azido-1-methoxypent-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-5-azido-1-methoxypent-3-enyl]benzene
PubChem CID71528650
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[(E)-5-azido-1-methoxypent-3-enyl]benzene
SMILESCOC(C/C=C/CN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C12H15N3O/c1-16-12(9-5-6-10-14-15-13)11-7-3-2-4-8-11/h2-8,12H,9-10H2,1H3/b6-5+
InChIKeyBRGJEZPQDHGYQD-AATRIKPKSA-N
XLogP3.63
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.63
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(E)-5-azido-1-methoxypent-3-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705
Benzene, (1-ethoxyethyl)-
CID 18693
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
(1S,2S)-(-)-1-Phenylpropylene oxide
CID 119448
2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl-
CID 107069
2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-
CID 107070
Trans-phenylpropylene oxide
CID 123339
(1-Methoxyethyl)benzene
CID 19913

Frequently Asked Questions

What is the IUPAC name of [(E)-5-azido-1-methoxypent-3-enyl]benzene?
The IUPAC name of [(E)-5-azido-1-methoxypent-3-enyl]benzene (CID 71528650) is [(E)-5-azido-1-methoxypent-3-enyl]benzene.
What is the SMILES notation for [(E)-5-azido-1-methoxypent-3-enyl]benzene?
The canonical SMILES for [(E)-5-azido-1-methoxypent-3-enyl]benzene is COC(C/C=C/CN=[N+]=[N-])c1ccccc1.
What is the InChIKey of [(E)-5-azido-1-methoxypent-3-enyl]benzene?
The InChIKey is BRGJEZPQDHGYQD-AATRIKPKSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-12(9-5-6-10-14-15-13)11-7-3-2-4-8-11/h2-8,12H,9-10H2,1H3/b6-5+.
What are the key properties of [(E)-5-azido-1-methoxypent-3-enyl]benzene?
[(E)-5-azido-1-methoxypent-3-enyl]benzene has a molecular weight of 217.27 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-azido-1-methoxypent-3-enyl]benzene is sourced from PubChem (CID 71528650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).