6-azido-1-(cyclohexen-1-yl)cyclohexene

C12H17N3 — CID 163934346

IUPAC6-azido-1-(cyclohexen-1-yl)cyclohexene
SMILES[N-]=[N+]=NC1CCCC=C1C1=CCCCC1
InChIInChI=1S/C12H17N3/c13-15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,8,12H,1-5,7,9H2
InChIKeyXUWHAUYHUDHGOK-UHFFFAOYSA-N
MW203.29 g/mol
LogP4.28
Rot. Bonds2

About 6-azido-1-(cyclohexen-1-yl)cyclohexene

6-azido-1-(cyclohexen-1-yl)cyclohexene (PubChem CID 163934346) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-azido-1-(cyclohexen-1-yl)cyclohexene.

Molecular Properties

Compound Name6-azido-1-(cyclohexen-1-yl)cyclohexene
PubChem CID163934346
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6-azido-1-(cyclohexen-1-yl)cyclohexene
SMILES[N-]=[N+]=NC1CCCC=C1C1=CCCCC1
InChIInChI=1S/C12H17N3/c13-15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,8,12H,1-5,7,9H2
InChIKeyXUWHAUYHUDHGOK-UHFFFAOYSA-N
XLogP4.28
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 54.28
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azido-1-(cyclohexen-1-yl)cyclohexene?
The IUPAC name of 6-azido-1-(cyclohexen-1-yl)cyclohexene (CID 163934346) is 6-azido-1-(cyclohexen-1-yl)cyclohexene.
What is the SMILES notation for 6-azido-1-(cyclohexen-1-yl)cyclohexene?
The canonical SMILES for 6-azido-1-(cyclohexen-1-yl)cyclohexene is [N-]=[N+]=NC1CCCC=C1C1=CCCCC1.
What is the InChIKey of 6-azido-1-(cyclohexen-1-yl)cyclohexene?
The InChIKey is XUWHAUYHUDHGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c13-15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,8,12H,1-5,7,9H2.
What are the key properties of 6-azido-1-(cyclohexen-1-yl)cyclohexene?
6-azido-1-(cyclohexen-1-yl)cyclohexene has a molecular weight of 203.29 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-1-(cyclohexen-1-yl)cyclohexene is sourced from PubChem (CID 163934346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).