(4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene

C9H13N3 — CID 175745910

IUPAC(4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene
SMILESC=C[C@H](N=[N+]=[N-])[C@H]1CC=CCC1
InChIInChI=1S/C9H13N3/c1-2-9(11-12-10)8-6-4-3-5-7-8/h2-4,8-9H,1,5-7H2/t8-,9-/m0/s1
InChIKeyKDUJUEVFFOVAJC-IUCAKERBSA-N
MW163.22 g/mol
LogP3.21
Rot. Bonds3

About (4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene

(4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene (PubChem CID 175745910) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene
PubChem CID175745910
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene
SMILESC=C[C@H](N=[N+]=[N-])[C@H]1CC=CCC1
InChIInChI=1S/C9H13N3/c1-2-9(11-12-10)8-6-4-3-5-7-8/h2-4,8-9H,1,5-7H2/t8-,9-/m0/s1
InChIKeyKDUJUEVFFOVAJC-IUCAKERBSA-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 (4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene?
The IUPAC name of (4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene (CID 175745910) is (4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene.
What is the SMILES notation for (4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene?
The canonical SMILES for (4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene is C=C[C@H](N=[N+]=[N-])[C@H]1CC=CCC1.
What is the InChIKey of (4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene?
The InChIKey is KDUJUEVFFOVAJC-IUCAKERBSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-9(11-12-10)8-6-4-3-5-7-8/h2-4,8-9H,1,5-7H2/t8-,9-/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene?
(4R)-4-[(1S)-1-azidoprop-2-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 (4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene is sourced from PubChem (CID 175745910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).