[(Z)-4-azidobut-2-enyl]cyclohexane

C10H17N3 — CID 150455717

IUPAC[(Z)-4-azidobut-2-enyl]cyclohexane
SMILES[N-]=[N+]=NC/C=C\CC1CCCCC1
InChIInChI=1S/C10H17N3/c11-13-12-9-5-4-8-10-6-2-1-3-7-10/h4-5,10H,1-3,6-9H2/b5-4-
InChIKeyHOSXTVDXHCOODS-PLNGDYQASA-N
MW179.27 g/mol
LogP3.82
Rot. Bonds4

About [(Z)-4-azidobut-2-enyl]cyclohexane

[(Z)-4-azidobut-2-enyl]cyclohexane (PubChem CID 150455717) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is [(Z)-4-azidobut-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-4-azidobut-2-enyl]cyclohexane
PubChem CID150455717
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name[(Z)-4-azidobut-2-enyl]cyclohexane
SMILES[N-]=[N+]=NC/C=C\CC1CCCCC1
InChIInChI=1S/C10H17N3/c11-13-12-9-5-4-8-10-6-2-1-3-7-10/h4-5,10H,1-3,6-9H2/b5-4-
InChIKeyHOSXTVDXHCOODS-PLNGDYQASA-N
XLogP3.82
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 53.82
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 [(Z)-4-azidobut-2-enyl]cyclohexane?
The IUPAC name of [(Z)-4-azidobut-2-enyl]cyclohexane (CID 150455717) is [(Z)-4-azidobut-2-enyl]cyclohexane.
What is the SMILES notation for [(Z)-4-azidobut-2-enyl]cyclohexane?
The canonical SMILES for [(Z)-4-azidobut-2-enyl]cyclohexane is [N-]=[N+]=NC/C=C\CC1CCCCC1.
What is the InChIKey of [(Z)-4-azidobut-2-enyl]cyclohexane?
The InChIKey is HOSXTVDXHCOODS-PLNGDYQASA-N. The full InChI is InChI=1S/C10H17N3/c11-13-12-9-5-4-8-10-6-2-1-3-7-10/h4-5,10H,1-3,6-9H2/b5-4-.
What are the key properties of [(Z)-4-azidobut-2-enyl]cyclohexane?
[(Z)-4-azidobut-2-enyl]cyclohexane has a molecular weight of 179.27 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-azidobut-2-enyl]cyclohexane is sourced from PubChem (CID 150455717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).