(1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol

C9H9N3O — CID 10888433

IUPAC(1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol
SMILES[N-]=[N+]=N[C@H]1Cc2ccccc2[C@H]1O
InChIInChI=1S/C9H9N3O/c10-12-11-8-5-6-3-1-2-4-7(6)9(8)13/h1-4,8-9,13H,5H2/t8-,9+/m0/s1
InChIKeyGXARJZSMOVQDPH-DTWKUNHWSA-N
MW175.19 g/mol
LogP1.96
Rot. Bonds1

About (1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol

(1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol (PubChem CID 10888433) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol
PubChem CID10888433
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol
SMILES[N-]=[N+]=N[C@H]1Cc2ccccc2[C@H]1O
InChIInChI=1S/C9H9N3O/c10-12-11-8-5-6-3-1-2-4-7(6)9(8)13/h1-4,8-9,13H,5H2/t8-,9+/m0/s1
InChIKeyGXARJZSMOVQDPH-DTWKUNHWSA-N
XLogP1.96
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.96
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,2S)-2-azido-2,3-dihydro-1H-inden-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

Related Compounds

CID 203118
CID 203118
CID 147803
CID 147803
CID 154446
CID 154446
CID 10898857
CID 10898857
CID 85794
CID 85794
CID 11008081
CID 11008081
CID 12550281
CID 12550281
CID 2793925
CID 2793925
CID 11137330
CID 11137330
CID 602752
CID 602752
CID 11205854
CID 11205854
CID 14160277
CID 14160277

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol (CID 10888433) is (1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol is [N-]=[N+]=N[C@H]1Cc2ccccc2[C@H]1O.
What is the InChIKey of (1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol?
The InChIKey is GXARJZSMOVQDPH-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H9N3O/c10-12-11-8-5-6-3-1-2-4-7(6)9(8)13/h1-4,8-9,13H,5H2/t8-,9+/m0/s1.
What are the key properties of (1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol?
(1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol has a molecular weight of 175.19 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-azido-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 10888433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).