6aH-phenanthridin-6-one

C13H9NO — CID 22100319

IUPAC6aH-phenanthridin-6-one
SMILESO=C1N=c2ccccc2=C2C=CC=CC12
InChIInChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8,11H
InChIKeyHPRFYHAKJBTDQJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.74
Rot. Bonds

About 6aH-phenanthridin-6-one

6aH-phenanthridin-6-one (PubChem CID 22100319) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 6aH-phenanthridin-6-one.

Molecular Properties

Compound Name6aH-phenanthridin-6-one
PubChem CID22100319
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name6aH-phenanthridin-6-one
SMILESO=C1N=c2ccccc2=C2C=CC=CC12
InChIInChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8,11H
InChIKeyHPRFYHAKJBTDQJ-UHFFFAOYSA-N
XLogP0.74
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dihydroquinolinone
CID 56625474
3-fluoro-3H-quinolin-2-one
CID 119086068
3-fluoro-4-methylquinolin-2(3H)-one
CID 71650944
(3R)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032449
(3S)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032450
6-chloro-3-methyl-3H-quinolin-2-one
CID 57222718
3-propyl-8aH-isoquinolin-1-one
CID 57240393
2-methyl-4aH-quinazolin-4-one
CID 57310190
2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one
CID 58528111
7,8-dihydro-3H-quinolin-2-one
CID 69650192
3-ethyl-6,7-dimethyl-3H-quinolin-2-one
CID 73739984
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676

Frequently Asked Questions

What is the IUPAC name of 6aH-phenanthridin-6-one?
The IUPAC name of 6aH-phenanthridin-6-one (CID 22100319) is 6aH-phenanthridin-6-one.
What is the SMILES notation for 6aH-phenanthridin-6-one?
The canonical SMILES for 6aH-phenanthridin-6-one is O=C1N=c2ccccc2=C2C=CC=CC12.
What is the InChIKey of 6aH-phenanthridin-6-one?
The InChIKey is HPRFYHAKJBTDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8,11H.
What are the key properties of 6aH-phenanthridin-6-one?
6aH-phenanthridin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6aH-phenanthridin-6-one is sourced from PubChem (CID 22100319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).