1-azidoprop-2-enylcyclohexane

C9H15N3 — CID 102226728

IUPAC1-azidoprop-2-enylcyclohexane
SMILESC=CC(N=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C9H15N3/c1-2-9(11-12-10)8-6-4-3-5-7-8/h2,8-9H,1,3-7H2
InChIKeyJBURVURMVDQHHZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP3.43
Rot. Bonds3

About 1-azidoprop-2-enylcyclohexane

1-azidoprop-2-enylcyclohexane (PubChem CID 102226728) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-azidoprop-2-enylcyclohexane.

Molecular Properties

Compound Name1-azidoprop-2-enylcyclohexane
PubChem CID102226728
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-azidoprop-2-enylcyclohexane
SMILESC=CC(N=[N+]=[N-])C1CCCCC1
InChIInChI=1S/C9H15N3/c1-2-9(11-12-10)8-6-4-3-5-7-8/h2,8-9H,1,3-7H2
InChIKeyJBURVURMVDQHHZ-UHFFFAOYSA-N
XLogP3.43
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.43
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-azidoprop-2-enylcyclohexane?
The IUPAC name of 1-azidoprop-2-enylcyclohexane (CID 102226728) is 1-azidoprop-2-enylcyclohexane.
What is the SMILES notation for 1-azidoprop-2-enylcyclohexane?
The canonical SMILES for 1-azidoprop-2-enylcyclohexane is C=CC(N=[N+]=[N-])C1CCCCC1.
What is the InChIKey of 1-azidoprop-2-enylcyclohexane?
The InChIKey is JBURVURMVDQHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-9(11-12-10)8-6-4-3-5-7-8/h2,8-9H,1,3-7H2.
What are the key properties of 1-azidoprop-2-enylcyclohexane?
1-azidoprop-2-enylcyclohexane has a molecular weight of 165.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidoprop-2-enylcyclohexane is sourced from PubChem (CID 102226728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).