5,6-dihydro-2H-2,8-phenanthrolin-3-one

C12H10N2O — CID 177137002

IUPAC5,6-dihydro-2H-2,8-phenanthrolin-3-one
SMILESO=c1cc2c(c[nH]1)-c1ccncc1CC2
InChIInChI=1S/C12H10N2O/c15-12-5-8-1-2-9-6-13-4-3-10(9)11(8)7-14-12/h3-7H,1-2H2,(H,14,15)
InChIKeyYKMLEZTWRMFNDU-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.54
Rot. Bonds

About 5,6-dihydro-2H-2,8-phenanthrolin-3-one

5,6-dihydro-2H-2,8-phenanthrolin-3-one (PubChem CID 177137002) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 5,6-dihydro-2H-2,8-phenanthrolin-3-one.

Molecular Properties

Compound Name5,6-dihydro-2H-2,8-phenanthrolin-3-one
PubChem CID177137002
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name5,6-dihydro-2H-2,8-phenanthrolin-3-one
SMILESO=c1cc2c(c[nH]1)-c1ccncc1CC2
InChIInChI=1S/C12H10N2O/c15-12-5-8-1-2-9-6-13-4-3-10(9)11(8)7-14-12/h3-7H,1-2H2,(H,14,15)
InChIKeyYKMLEZTWRMFNDU-UHFFFAOYSA-N
XLogP1.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-dihydro-2H-2,8-phenanthrolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dihydrobenzo[f]isoquinoline
CID 14566470
2,3,4,7-tetrahydro-2,7-naphthyridine-1,6-dione
CID 165386444
N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide
CID 70080549
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
CID 23157166
spiro[7,8-dihydroisoquinoline-6,1'-cyclopropane]-5-one
CID 112714409
2,3-dihydropyrrolo[3,4-c]pyridin-1-one;hydrochloride
CID 141389708
5,6-dimethyl-7,8-dihydroisoquinoline
CID 89031942
spiro[7,8-dihydroisoquinoline-6,1'-cyclobutane]-5-one
CID 112714834
3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 18952402
ethyl 4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylate
CID 68707167
6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one;(NE)-N-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine
CID 172941326
7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 156865063

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-2H-2,8-phenanthrolin-3-one?
The IUPAC name of 5,6-dihydro-2H-2,8-phenanthrolin-3-one (CID 177137002) is 5,6-dihydro-2H-2,8-phenanthrolin-3-one.
What is the SMILES notation for 5,6-dihydro-2H-2,8-phenanthrolin-3-one?
The canonical SMILES for 5,6-dihydro-2H-2,8-phenanthrolin-3-one is O=c1cc2c(c[nH]1)-c1ccncc1CC2.
What is the InChIKey of 5,6-dihydro-2H-2,8-phenanthrolin-3-one?
The InChIKey is YKMLEZTWRMFNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-5-8-1-2-9-6-13-4-3-10(9)11(8)7-14-12/h3-7H,1-2H2,(H,14,15).
What are the key properties of 5,6-dihydro-2H-2,8-phenanthrolin-3-one?
5,6-dihydro-2H-2,8-phenanthrolin-3-one has a molecular weight of 198.23 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-2H-2,8-phenanthrolin-3-one is sourced from PubChem (CID 177137002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).