4-azidobutylbenzene;nobelium

C10H12N3No2- — CID 59154714

IUPAC4-azidobutylbenzene;nobelium
SMILES[N-]=[N+]=NCCCCc1cc[c-]cc1.[No].[No]
InChIInChI=1S/C10H12N3.2No/c11-13-12-9-5-4-8-10-6-2-1-3-7-10;;/h2-3,6-7H,4-5,8-9H2;;/q-1;;
InChIKeyHGYSBGYFUUSUEG-UHFFFAOYSA-N
MW692.23 g/mol
LogP3.12
Rot. Bonds5

About 4-azidobutylbenzene;nobelium

4-azidobutylbenzene;nobelium (PubChem CID 59154714) has the molecular formula C10H12N3No2- and a molecular weight of 692.23 g/mol. Its IUPAC name is 4-azidobutylbenzene;nobelium.

Molecular Properties

Compound Name4-azidobutylbenzene;nobelium
PubChem CID59154714
Molecular FormulaC10H12N3No2-
Molecular Weight692.23 g/mol
Exact Mass692.31
IUPAC Name4-azidobutylbenzene;nobelium
SMILES[N-]=[N+]=NCCCCc1cc[c-]cc1.[No].[No]
InChIInChI=1S/C10H12N3.2No/c11-13-12-9-5-4-8-10-6-2-1-3-7-10;;/h2-3,6-7H,4-5,8-9H2;;/q-1;;
InChIKeyHGYSBGYFUUSUEG-UHFFFAOYSA-N
XLogP3.12
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500692.23
LogP ≤ 53.12
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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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2-(4-Methylcyclohexa-1,3-dien-1-yl)ethyldiazene
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3,7,8,8a-Tetrahydrocinnoline
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1-(Azidomethyl)cyclohexene
CID 102268963
1-(Azidomethyl)-3-methylcyclohexa-1,3-diene
CID 130328622
1-(2-Azidoethyl)cyclohexene
CID 130906292
methyl-[(Z)-(2-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]diazene
CID 142872779
1-(Azidomethyl)cyclohexa-1,3-diene
CID 151711651
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1-(2-Azidoethyl)cyclohexene;molecular hydrogen
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Frequently Asked Questions

What is the IUPAC name of 4-azidobutylbenzene;nobelium?
The IUPAC name of 4-azidobutylbenzene;nobelium (CID 59154714) is 4-azidobutylbenzene;nobelium.
What is the SMILES notation for 4-azidobutylbenzene;nobelium?
The canonical SMILES for 4-azidobutylbenzene;nobelium is [N-]=[N+]=NCCCCc1cc[c-]cc1.[No].[No].
What is the InChIKey of 4-azidobutylbenzene;nobelium?
The InChIKey is HGYSBGYFUUSUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N3.2No/c11-13-12-9-5-4-8-10-6-2-1-3-7-10;;/h2-3,6-7H,4-5,8-9H2;;/q-1;;.
What are the key properties of 4-azidobutylbenzene;nobelium?
4-azidobutylbenzene;nobelium has a molecular weight of 692.23 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidobutylbenzene;nobelium is sourced from PubChem (CID 59154714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).