1-(azidomethyl)cyclopentene

C6H9N3 — CID 15094073

IUPAC1-(azidomethyl)cyclopentene
SMILES[N-]=[N+]=NCC1=CCCC1
InChIInChI=1S/C6H9N3/c7-9-8-5-6-3-1-2-4-6/h3H,1-2,4-5H2
InChIKeyQXPUPHOAWYXWDJ-UHFFFAOYSA-N
MW123.16 g/mol
LogP2.41
Rot. Bonds2

About 1-(azidomethyl)cyclopentene

1-(azidomethyl)cyclopentene (PubChem CID 15094073) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-(azidomethyl)cyclopentene.

Molecular Properties

Compound Name1-(azidomethyl)cyclopentene
PubChem CID15094073
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-(azidomethyl)cyclopentene
SMILES[N-]=[N+]=NCC1=CCCC1
InChIInChI=1S/C6H9N3/c7-9-8-5-6-3-1-2-4-6/h3H,1-2,4-5H2
InChIKeyQXPUPHOAWYXWDJ-UHFFFAOYSA-N
XLogP2.41
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)cyclopentene?
The IUPAC name of 1-(azidomethyl)cyclopentene (CID 15094073) is 1-(azidomethyl)cyclopentene.
What is the SMILES notation for 1-(azidomethyl)cyclopentene?
The canonical SMILES for 1-(azidomethyl)cyclopentene is [N-]=[N+]=NCC1=CCCC1.
What is the InChIKey of 1-(azidomethyl)cyclopentene?
The InChIKey is QXPUPHOAWYXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-9-8-5-6-3-1-2-4-6/h3H,1-2,4-5H2.
What are the key properties of 1-(azidomethyl)cyclopentene?
1-(azidomethyl)cyclopentene has a molecular weight of 123.16 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)cyclopentene is sourced from PubChem (CID 15094073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).