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

C9H9N3O — CID 10921029

IUPAC(1S,2R)-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+/m1/s1
InChIKeyGXARJZSMOVQDPH-BDAKNGLRSA-N
MW175.19 g/mol
LogP1.96
Rot. Bonds1

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

(1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol (PubChem CID 10921029) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol
PubChem CID10921029
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(1S,2R)-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+/m1/s1
InChIKeyGXARJZSMOVQDPH-BDAKNGLRSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol (CID 10921029) is (1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol is [N-]=[N+]=N[C@@H]1Cc2ccccc2[C@@H]1O.
What is the InChIKey of (1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol?
The InChIKey is GXARJZSMOVQDPH-BDAKNGLRSA-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+/m1/s1.
What are the key properties of (1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-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 (1S,2R)-2-azido-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 10921029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).