2-azido-1,2-dihydroacenaphthylen-1-ol

C12H9N3O — CID 602752

IUPAC2-azido-1,2-dihydroacenaphthylen-1-ol
SMILES[N-]=[N+]=NC1c2cccc3cccc(c23)C1O
InChIInChI=1S/C12H9N3O/c13-15-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)16/h1-6,11-12,16H
InChIKeyFXPLOGPAQFTOOZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.24
Rot. Bonds1

About 2-azido-1,2-dihydroacenaphthylen-1-ol

2-azido-1,2-dihydroacenaphthylen-1-ol (PubChem CID 602752) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-azido-1,2-dihydroacenaphthylen-1-ol.

Molecular Properties

Compound Name2-azido-1,2-dihydroacenaphthylen-1-ol
PubChem CID602752
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-azido-1,2-dihydroacenaphthylen-1-ol
SMILES[N-]=[N+]=NC1c2cccc3cccc(c23)C1O
InChIInChI=1S/C12H9N3O/c13-15-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)16/h1-6,11-12,16H
InChIKeyFXPLOGPAQFTOOZ-UHFFFAOYSA-N
XLogP3.24
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.24
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 2-azido-1,2-dihydroacenaphthylen-1-ol?
The IUPAC name of 2-azido-1,2-dihydroacenaphthylen-1-ol (CID 602752) is 2-azido-1,2-dihydroacenaphthylen-1-ol.
What is the SMILES notation for 2-azido-1,2-dihydroacenaphthylen-1-ol?
The canonical SMILES for 2-azido-1,2-dihydroacenaphthylen-1-ol is [N-]=[N+]=NC1c2cccc3cccc(c23)C1O.
What is the InChIKey of 2-azido-1,2-dihydroacenaphthylen-1-ol?
The InChIKey is FXPLOGPAQFTOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-15-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)16/h1-6,11-12,16H.
What are the key properties of 2-azido-1,2-dihydroacenaphthylen-1-ol?
2-azido-1,2-dihydroacenaphthylen-1-ol has a molecular weight of 211.22 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,2-dihydroacenaphthylen-1-ol is sourced from PubChem (CID 602752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).