4-[(Z)-3-azidoprop-1-enyl]cyclohexene

C9H13N3 — CID 150305213

IUPAC4-[(Z)-3-azidoprop-1-enyl]cyclohexene
SMILES[N-]=[N+]=NC/C=C\C1CC=CCC1
InChIInChI=1S/C9H13N3/c10-12-11-8-4-7-9-5-2-1-3-6-9/h1-2,4,7,9H,3,5-6,8H2/b7-4-
InChIKeyGKLINJKFVJWUHQ-DAXSKMNVSA-N
MW163.22 g/mol
LogP3.21
Rot. Bonds3

About 4-[(Z)-3-azidoprop-1-enyl]cyclohexene

4-[(Z)-3-azidoprop-1-enyl]cyclohexene (PubChem CID 150305213) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-[(Z)-3-azidoprop-1-enyl]cyclohexene.

Molecular Properties

Compound Name4-[(Z)-3-azidoprop-1-enyl]cyclohexene
PubChem CID150305213
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-[(Z)-3-azidoprop-1-enyl]cyclohexene
SMILES[N-]=[N+]=NC/C=C\C1CC=CCC1
InChIInChI=1S/C9H13N3/c10-12-11-8-4-7-9-5-2-1-3-6-9/h1-2,4,7,9H,3,5-6,8H2/b7-4-
InChIKeyGKLINJKFVJWUHQ-DAXSKMNVSA-N
XLogP3.21
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 53.21
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 4-[(Z)-3-azidoprop-1-enyl]cyclohexene?
The IUPAC name of 4-[(Z)-3-azidoprop-1-enyl]cyclohexene (CID 150305213) is 4-[(Z)-3-azidoprop-1-enyl]cyclohexene.
What is the SMILES notation for 4-[(Z)-3-azidoprop-1-enyl]cyclohexene?
The canonical SMILES for 4-[(Z)-3-azidoprop-1-enyl]cyclohexene is [N-]=[N+]=NC/C=C\C1CC=CCC1.
What is the InChIKey of 4-[(Z)-3-azidoprop-1-enyl]cyclohexene?
The InChIKey is GKLINJKFVJWUHQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H13N3/c10-12-11-8-4-7-9-5-2-1-3-6-9/h1-2,4,7,9H,3,5-6,8H2/b7-4-.
What are the key properties of 4-[(Z)-3-azidoprop-1-enyl]cyclohexene?
4-[(Z)-3-azidoprop-1-enyl]cyclohexene has a molecular weight of 163.22 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-azidoprop-1-enyl]cyclohexene is sourced from PubChem (CID 150305213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).