1-azido-2-[(E)-4-azidobut-1-enyl]benzene

C10H10N6 — CID 165349366

IUPAC1-azido-2-[(E)-4-azidobut-1-enyl]benzene
SMILES[N-]=[N+]=NCC/C=C/c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C10H10N6/c11-15-13-8-4-3-6-9-5-1-2-7-10(9)14-16-12/h1-3,5-7H,4,8H2/b6-3+
InChIKeyYTEWWQDNVVASGT-ZZXKWVIFSA-N
MW214.23 g/mol
LogP4.34
Rot. Bonds5

About 1-azido-2-[(E)-4-azidobut-1-enyl]benzene

1-azido-2-[(E)-4-azidobut-1-enyl]benzene (PubChem CID 165349366) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-azido-2-[(E)-4-azidobut-1-enyl]benzene.

Molecular Properties

Compound Name1-azido-2-[(E)-4-azidobut-1-enyl]benzene
PubChem CID165349366
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-azido-2-[(E)-4-azidobut-1-enyl]benzene
SMILES[N-]=[N+]=NCC/C=C/c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C10H10N6/c11-15-13-8-4-3-6-9-5-1-2-7-10(9)14-16-12/h1-3,5-7H,4,8H2/b6-3+
InChIKeyYTEWWQDNVVASGT-ZZXKWVIFSA-N
XLogP4.34
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(4-azidobut-1-enyl)-2-fluorophenol
CID 170484869
N-[2-(4-azidobut-1-enyl)phenyl]acetamide
CID 170485725
9-(4-azidobut-1-enyl)phenanthrene
CID 170486257
3-[2-(4-azidobut-1-enyl)phenyl]propanoic acid
CID 170485805
3-(4-azidobut-1-enyl)-4-chloropyridine
CID 170484741
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
3-(4-azidobut-1-enyl)-2,6-dimethylpyridine
CID 170484988
2-(4-azidobut-1-enyl)-3-chlorobenzaldehyde
CID 170485154
2-(4-azidobut-1-enyl)-5-methylbenzaldehyde
CID 170485179
2-(4-azidobut-1-enyl)-6-methylpyridine
CID 170484756
8-(4-azidobut-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 170486268
[3-(4-azidobut-1-enyl)-4-chlorophenyl]methanol
CID 170485156

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-[(E)-4-azidobut-1-enyl]benzene?
The IUPAC name of 1-azido-2-[(E)-4-azidobut-1-enyl]benzene (CID 165349366) is 1-azido-2-[(E)-4-azidobut-1-enyl]benzene.
What is the SMILES notation for 1-azido-2-[(E)-4-azidobut-1-enyl]benzene?
The canonical SMILES for 1-azido-2-[(E)-4-azidobut-1-enyl]benzene is [N-]=[N+]=NCC/C=C/c1ccccc1N=[N+]=[N-].
What is the InChIKey of 1-azido-2-[(E)-4-azidobut-1-enyl]benzene?
The InChIKey is YTEWWQDNVVASGT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H10N6/c11-15-13-8-4-3-6-9-5-1-2-7-10(9)14-16-12/h1-3,5-7H,4,8H2/b6-3+.
What are the key properties of 1-azido-2-[(E)-4-azidobut-1-enyl]benzene?
1-azido-2-[(E)-4-azidobut-1-enyl]benzene has a molecular weight of 214.23 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-[(E)-4-azidobut-1-enyl]benzene is sourced from PubChem (CID 165349366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).