1-(azidomethyl)-2-butylcyclopentene

C10H17N3 — CID 18621681

IUPAC1-(azidomethyl)-2-butylcyclopentene
SMILESCCCCC1=C(CN=[N+]=[N-])CCC1
InChIInChI=1S/C10H17N3/c1-2-3-5-9-6-4-7-10(9)8-12-13-11/h2-8H2,1H3
InChIKeyWAQLUMYFCZLNOH-UHFFFAOYSA-N
MW179.27 g/mol
LogP3.97
Rot. Bonds5

About 1-(azidomethyl)-2-butylcyclopentene

1-(azidomethyl)-2-butylcyclopentene (PubChem CID 18621681) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(azidomethyl)-2-butylcyclopentene.

Molecular Properties

Compound Name1-(azidomethyl)-2-butylcyclopentene
PubChem CID18621681
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(azidomethyl)-2-butylcyclopentene
SMILESCCCCC1=C(CN=[N+]=[N-])CCC1
InChIInChI=1S/C10H17N3/c1-2-3-5-9-6-4-7-10(9)8-12-13-11/h2-8H2,1H3
InChIKeyWAQLUMYFCZLNOH-UHFFFAOYSA-N
XLogP3.97
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 53.97
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(Azidomethyl)-2-methylcyclohexene
CID 18621671
1-(Azidomethyl)-2-ethylcyclohexene
CID 18621686
4,5,6,7,8,9-hexahydro-3H-cycloocta[c]pyrazole
CID 59180887
3-Azido-1,2-dimethylcyclohexene
CID 90775284

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-2-butylcyclopentene?
The IUPAC name of 1-(azidomethyl)-2-butylcyclopentene (CID 18621681) is 1-(azidomethyl)-2-butylcyclopentene.
What is the SMILES notation for 1-(azidomethyl)-2-butylcyclopentene?
The canonical SMILES for 1-(azidomethyl)-2-butylcyclopentene is CCCCC1=C(CN=[N+]=[N-])CCC1.
What is the InChIKey of 1-(azidomethyl)-2-butylcyclopentene?
The InChIKey is WAQLUMYFCZLNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-3-5-9-6-4-7-10(9)8-12-13-11/h2-8H2,1H3.
What are the key properties of 1-(azidomethyl)-2-butylcyclopentene?
1-(azidomethyl)-2-butylcyclopentene has a molecular weight of 179.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-2-butylcyclopentene is sourced from PubChem (CID 18621681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).