6-oxo-6aH-phenanthridine-3-carboxylic acid

C14H9NO3 — CID 118009871

IUPAC6-oxo-6aH-phenanthridine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)=NC(=O)C1C=CC=CC=21
InChIInChI=1S/C14H9NO3/c16-13-11-4-2-1-3-9(11)10-6-5-8(14(17)18)7-12(10)15-13/h1-7,11H,(H,17,18)
InChIKeyDPWAIFWLFCSUNS-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.44
Rot. Bonds1

About 6-oxo-6aH-phenanthridine-3-carboxylic acid

6-oxo-6aH-phenanthridine-3-carboxylic acid (PubChem CID 118009871) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-oxo-6aH-phenanthridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-6aH-phenanthridine-3-carboxylic acid
PubChem CID118009871
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name6-oxo-6aH-phenanthridine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)=NC(=O)C1C=CC=CC=21
InChIInChI=1S/C14H9NO3/c16-13-11-4-2-1-3-9(11)10-6-5-8(14(17)18)7-12(10)15-13/h1-7,11H,(H,17,18)
InChIKeyDPWAIFWLFCSUNS-UHFFFAOYSA-N
XLogP0.44
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-6aH-phenanthridine-3-carboxylic acid?
The IUPAC name of 6-oxo-6aH-phenanthridine-3-carboxylic acid (CID 118009871) is 6-oxo-6aH-phenanthridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-6aH-phenanthridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-6aH-phenanthridine-3-carboxylic acid is O=C(O)c1ccc2c(c1)=NC(=O)C1C=CC=CC=21.
What is the InChIKey of 6-oxo-6aH-phenanthridine-3-carboxylic acid?
The InChIKey is DPWAIFWLFCSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-13-11-4-2-1-3-9(11)10-6-5-8(14(17)18)7-12(10)15-13/h1-7,11H,(H,17,18).
What are the key properties of 6-oxo-6aH-phenanthridine-3-carboxylic acid?
6-oxo-6aH-phenanthridine-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6aH-phenanthridine-3-carboxylic acid is sourced from PubChem (CID 118009871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).