6,6a-dihydro-4H-phenanthridin-1-one

C13H11NO — CID 57322103

IUPAC6,6a-dihydro-4H-phenanthridin-1-one
SMILESO=C1C=CCC2=NCC3C=CC=CC3=C12
InChIInChI=1S/C13H11NO/c15-12-7-3-6-11-13(12)10-5-2-1-4-9(10)8-14-11/h1-5,7,9H,6,8H2
InChIKeyYFCLINDDLGKUJA-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.01
Rot. Bonds

About 6,6a-dihydro-4H-phenanthridin-1-one

6,6a-dihydro-4H-phenanthridin-1-one (PubChem CID 57322103) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 6,6a-dihydro-4H-phenanthridin-1-one.

Molecular Properties

Compound Name6,6a-dihydro-4H-phenanthridin-1-one
PubChem CID57322103
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name6,6a-dihydro-4H-phenanthridin-1-one
SMILESO=C1C=CCC2=NCC3C=CC=CC3=C12
InChIInChI=1S/C13H11NO/c15-12-7-3-6-11-13(12)10-5-2-1-4-9(10)8-14-11/h1-5,7,9H,6,8H2
InChIKeyYFCLINDDLGKUJA-UHFFFAOYSA-N
XLogP2.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-quinolin-8-one
CID 18187031
2,9-Dihydro-1-benzazepin-6-one
CID 57031443
5,10a-dihydro-4H-acridin-1-one
CID 57267293
3,6-dihydro-2H-quinolin-5-one
CID 67546033
3,4,4a,5-tetrahydro-2H-acridin-1-one
CID 68149919
3,4-dihydro-2H-quinolin-6-one
CID 69967126
2H-naphtho[2,1-f]quinolin-5-one
CID 87382626
4,6a-Dihydrophenanthridine-3,6-dione
CID 88333967
3H-cyclohepta[f]quinoline-1,2-dione
CID 88696694
10a,11-dihydro-5aH-benzo[b]acridin-4-one
CID 90977563
4a,5-dihydro-2H-quinolin-8-one
CID 91275193
1,2,3,4a-Tetrahydroacridine-4,5-dione
CID 132132547

Frequently Asked Questions

What is the IUPAC name of 6,6a-dihydro-4H-phenanthridin-1-one?
The IUPAC name of 6,6a-dihydro-4H-phenanthridin-1-one (CID 57322103) is 6,6a-dihydro-4H-phenanthridin-1-one.
What is the SMILES notation for 6,6a-dihydro-4H-phenanthridin-1-one?
The canonical SMILES for 6,6a-dihydro-4H-phenanthridin-1-one is O=C1C=CCC2=NCC3C=CC=CC3=C12.
What is the InChIKey of 6,6a-dihydro-4H-phenanthridin-1-one?
The InChIKey is YFCLINDDLGKUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-12-7-3-6-11-13(12)10-5-2-1-4-9(10)8-14-11/h1-5,7,9H,6,8H2.
What are the key properties of 6,6a-dihydro-4H-phenanthridin-1-one?
6,6a-dihydro-4H-phenanthridin-1-one has a molecular weight of 197.24 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a-dihydro-4H-phenanthridin-1-one is sourced from PubChem (CID 57322103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).