carbazole-2,2-diol

C12H9NO2 — CID 11593628

IUPACcarbazole-2,2-diol
SMILESOC1(O)C=CC2=c3ccccc3=NC2=C1
InChIInChI=1S/C12H9NO2/c14-12(15)6-5-9-8-3-1-2-4-10(8)13-11(9)7-12/h1-7,14-15H
InChIKeyTVRXFNCALCEUJB-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.39
Rot. Bonds

About carbazole-2,2-diol

carbazole-2,2-diol (PubChem CID 11593628) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is carbazole-2,2-diol.

Molecular Properties

Compound Namecarbazole-2,2-diol
PubChem CID11593628
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Namecarbazole-2,2-diol
SMILESOC1(O)C=CC2=c3ccccc3=NC2=C1
InChIInChI=1S/C12H9NO2/c14-12(15)6-5-9-8-3-1-2-4-10(8)13-11(9)7-12/h1-7,14-15H
InChIKeyTVRXFNCALCEUJB-UHFFFAOYSA-N
XLogP-0.39
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbazole-2,2-diol?
The IUPAC name of carbazole-2,2-diol (CID 11593628) is carbazole-2,2-diol.
What is the SMILES notation for carbazole-2,2-diol?
The canonical SMILES for carbazole-2,2-diol is OC1(O)C=CC2=c3ccccc3=NC2=C1.
What is the InChIKey of carbazole-2,2-diol?
The InChIKey is TVRXFNCALCEUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(15)6-5-9-8-3-1-2-4-10(8)13-11(9)7-12/h1-7,14-15H.
What are the key properties of carbazole-2,2-diol?
carbazole-2,2-diol has a molecular weight of 199.21 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbazole-2,2-diol is sourced from PubChem (CID 11593628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).