(1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol

C11H10ClN3O — CID 102523602

IUPAC(1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol
SMILES[N-]=[N+]=N[C@H]1CC(c2ccccc2)=C(Cl)[C@@H]1O
InChIInChI=1S/C11H10ClN3O/c12-10-8(7-4-2-1-3-5-7)6-9(11(10)16)14-15-13/h1-5,9,11,16H,6H2/t9-,11+/m0/s1
InChIKeyCKYZGQJIJPBBCH-GXSJLCMTSA-N
MW235.67 g/mol
LogP3.08
Rot. Bonds2

About (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol

(1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol (PubChem CID 102523602) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol
PubChem CID102523602
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name(1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol
SMILES[N-]=[N+]=N[C@H]1CC(c2ccccc2)=C(Cl)[C@@H]1O
InChIInChI=1S/C11H10ClN3O/c12-10-8(7-4-2-1-3-5-7)6-9(11(10)16)14-15-13/h1-5,9,11,16H,6H2/t9-,11+/m0/s1
InChIKeyCKYZGQJIJPBBCH-GXSJLCMTSA-N
XLogP3.08
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.08
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol 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 (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol?
The IUPAC name of (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol (CID 102523602) is (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol.
What is the SMILES notation for (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol?
The canonical SMILES for (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol is [N-]=[N+]=N[C@H]1CC(c2ccccc2)=C(Cl)[C@@H]1O.
What is the InChIKey of (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol?
The InChIKey is CKYZGQJIJPBBCH-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-10-8(7-4-2-1-3-5-7)6-9(11(10)16)14-15-13/h1-5,9,11,16H,6H2/t9-,11+/m0/s1.
What are the key properties of (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol?
(1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol has a molecular weight of 235.67 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-5-azido-2-chloro-3-phenylcyclopent-2-en-1-ol is sourced from PubChem (CID 102523602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).