3-hydroxy-5H-phenanthridin-6-one

C13H9NO2 — CID 5381803

IUPAC3-hydroxy-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(O)ccc2c2ccccc12
InChIInChI=1S/C13H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14-12(10)7-8/h1-7,15H,(H,14,16)
InChIKeyZSAFVBXMDKESOY-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.39
Rot. Bonds

About 3-hydroxy-5H-phenanthridin-6-one

3-hydroxy-5H-phenanthridin-6-one (PubChem CID 5381803) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-hydroxy-5H-phenanthridin-6-one.

Molecular Properties

Compound Name3-hydroxy-5H-phenanthridin-6-one
PubChem CID5381803
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name3-hydroxy-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(O)ccc2c2ccccc12
InChIInChI=1S/C13H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14-12(10)7-8/h1-7,15H,(H,14,16)
InChIKeyZSAFVBXMDKESOY-UHFFFAOYSA-N
XLogP2.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5H-phenanthridin-6-one?
The IUPAC name of 3-hydroxy-5H-phenanthridin-6-one (CID 5381803) is 3-hydroxy-5H-phenanthridin-6-one.
What is the SMILES notation for 3-hydroxy-5H-phenanthridin-6-one?
The canonical SMILES for 3-hydroxy-5H-phenanthridin-6-one is O=c1[nH]c2cc(O)ccc2c2ccccc12.
What is the InChIKey of 3-hydroxy-5H-phenanthridin-6-one?
The InChIKey is ZSAFVBXMDKESOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14-12(10)7-8/h1-7,15H,(H,14,16).
What are the key properties of 3-hydroxy-5H-phenanthridin-6-one?
3-hydroxy-5H-phenanthridin-6-one has a molecular weight of 211.22 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5H-phenanthridin-6-one is sourced from PubChem (CID 5381803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).