(3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol

C11H19N3O — CID 11009169

IUPAC(3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol
SMILESC=C[C@H](O)[C@H](CC1CCCCC1)N=[N+]=[N-]
InChIInChI=1S/C11H19N3O/c1-2-11(15)10(13-14-12)8-9-6-4-3-5-7-9/h2,9-11,15H,1,3-8H2/t10-,11-/m0/s1
InChIKeyVYCQQCDDDKYOMX-QWRGUYRKSA-N
MW209.29 g/mol
LogP3.18
Rot. Bonds5

About (3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol

(3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol (PubChem CID 11009169) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol
PubChem CID11009169
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol
SMILESC=C[C@H](O)[C@H](CC1CCCCC1)N=[N+]=[N-]
InChIInChI=1S/C11H19N3O/c1-2-11(15)10(13-14-12)8-9-6-4-3-5-7-9/h2,9-11,15H,1,3-8H2/t10-,11-/m0/s1
InChIKeyVYCQQCDDDKYOMX-QWRGUYRKSA-N
XLogP3.18
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol?
The IUPAC name of (3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol (CID 11009169) is (3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol.
What is the SMILES notation for (3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol?
The canonical SMILES for (3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol is C=C[C@H](O)[C@H](CC1CCCCC1)N=[N+]=[N-].
What is the InChIKey of (3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol?
The InChIKey is VYCQQCDDDKYOMX-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-11(15)10(13-14-12)8-9-6-4-3-5-7-9/h2,9-11,15H,1,3-8H2/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol?
(3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol has a molecular weight of 209.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-azido-5-cyclohexylpent-1-en-3-ol is sourced from PubChem (CID 11009169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).