7,8-dihydro-5H-phenanthridin-6-one

C13H11NO — CID 118650763

IUPAC7,8-dihydro-5H-phenanthridin-6-one
SMILESO=c1[nH]c2ccccc2c2c1CCC=C2
InChIInChI=1S/C13H11NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1,3-6,8H,2,7H2,(H,14,15)
InChIKeyGSVQOSSVDHKRGX-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.49
Rot. Bonds

About 7,8-dihydro-5H-phenanthridin-6-one

7,8-dihydro-5H-phenanthridin-6-one (PubChem CID 118650763) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 7,8-dihydro-5H-phenanthridin-6-one.

Molecular Properties

Compound Name7,8-dihydro-5H-phenanthridin-6-one
PubChem CID118650763
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name7,8-dihydro-5H-phenanthridin-6-one
SMILESO=c1[nH]c2ccccc2c2c1CCC=C2
InChIInChI=1S/C13H11NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1,3-6,8H,2,7H2,(H,14,15)
InChIKeyGSVQOSSVDHKRGX-UHFFFAOYSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-phenanthridin-6-one?
The IUPAC name of 7,8-dihydro-5H-phenanthridin-6-one (CID 118650763) is 7,8-dihydro-5H-phenanthridin-6-one.
What is the SMILES notation for 7,8-dihydro-5H-phenanthridin-6-one?
The canonical SMILES for 7,8-dihydro-5H-phenanthridin-6-one is O=c1[nH]c2ccccc2c2c1CCC=C2.
What is the InChIKey of 7,8-dihydro-5H-phenanthridin-6-one?
The InChIKey is GSVQOSSVDHKRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1,3-6,8H,2,7H2,(H,14,15).
What are the key properties of 7,8-dihydro-5H-phenanthridin-6-one?
7,8-dihydro-5H-phenanthridin-6-one has a molecular weight of 197.24 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-phenanthridin-6-one is sourced from PubChem (CID 118650763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).