2H-benzo[c]phenanthridin-1-one

C17H11NO — CID 69328361

IUPAC2H-benzo[c]phenanthridin-1-one
SMILESO=C1CC=Cc2c1ccc1c2ncc2ccccc21
InChIInChI=1S/C17H11NO/c19-16-7-3-6-14-13(16)8-9-15-12-5-2-1-4-11(12)10-18-17(14)15/h1-6,8-10H,7H2
InChIKeyGDXJQAMRPQOBKQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.99
Rot. Bonds

About 2H-benzo[c]phenanthridin-1-one

2H-benzo[c]phenanthridin-1-one (PubChem CID 69328361) has the molecular formula C17H11NO and a molecular weight of 245.28 g/mol. Its IUPAC name is 2H-benzo[c]phenanthridin-1-one.

Molecular Properties

Compound Name2H-benzo[c]phenanthridin-1-one
PubChem CID69328361
Molecular FormulaC17H11NO
Molecular Weight245.28 g/mol
Exact Mass245.08
IUPAC Name2H-benzo[c]phenanthridin-1-one
SMILESO=C1CC=Cc2c1ccc1c2ncc2ccccc21
InChIInChI=1S/C17H11NO/c19-16-7-3-6-14-13(16)8-9-15-12-5-2-1-4-11(12)10-18-17(14)15/h1-6,8-10H,7H2
InChIKeyGDXJQAMRPQOBKQ-UHFFFAOYSA-N
XLogP3.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
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 2H-benzo[c]phenanthridin-1-one?
The IUPAC name of 2H-benzo[c]phenanthridin-1-one (CID 69328361) is 2H-benzo[c]phenanthridin-1-one.
What is the SMILES notation for 2H-benzo[c]phenanthridin-1-one?
The canonical SMILES for 2H-benzo[c]phenanthridin-1-one is O=C1CC=Cc2c1ccc1c2ncc2ccccc21.
What is the InChIKey of 2H-benzo[c]phenanthridin-1-one?
The InChIKey is GDXJQAMRPQOBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO/c19-16-7-3-6-14-13(16)8-9-15-12-5-2-1-4-11(12)10-18-17(14)15/h1-6,8-10H,7H2.
What are the key properties of 2H-benzo[c]phenanthridin-1-one?
2H-benzo[c]phenanthridin-1-one has a molecular weight of 245.28 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[c]phenanthridin-1-one is sourced from PubChem (CID 69328361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).