trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane

C10H17N3O — CID 155351835

IUPACtrans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane
SMILESC/C=C/CO[C@@H]1CCC[C@@H](N=[N+]=[N-])C1
InChIInChI=1S/C10H17N3O/c1-2-3-7-14-10-6-4-5-9(8-10)12-13-11/h2-3,9-10H,4-8H2,1H3/b3-2+/t9-,10-/m1/s1
InChIKeyNWTBAUDOBPSQHF-HLKOZVMDSA-N
MW195.27 g/mol
LogP3.20
Rot. Bonds4

About trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane

trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane (PubChem CID 155351835) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane.

Molecular Properties

Compound Nametrans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane
PubChem CID155351835
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Nametrans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane
SMILESC/C=C/CO[C@@H]1CCC[C@@H](N=[N+]=[N-])C1
InChIInChI=1S/C10H17N3O/c1-2-3-7-14-10-6-4-5-9(8-10)12-13-11/h2-3,9-10H,4-8H2,1H3/b3-2+/t9-,10-/m1/s1
InChIKeyNWTBAUDOBPSQHF-HLKOZVMDSA-N
XLogP3.20
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane?
The IUPAC name of trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane (CID 155351835) is trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane.
What is the SMILES notation for trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane?
The canonical SMILES for trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane is C/C=C/CO[C@@H]1CCC[C@@H](N=[N+]=[N-])C1.
What is the InChIKey of trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane?
The InChIKey is NWTBAUDOBPSQHF-HLKOZVMDSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-7-14-10-6-4-5-9(8-10)12-13-11/h2-3,9-10H,4-8H2,1H3/b3-2+/t9-,10-/m1/s1.
What are the key properties of trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane?
trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane has a molecular weight of 195.27 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-azido-3-[(E)-but-2-enoxy]cyclohexane is sourced from PubChem (CID 155351835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).