2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one

C8H9NO — CID 56972682

IUPAC2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one
SMILESO=c1cc2c(c[nH]1)CCC2
InChIInChI=1S/C8H9NO/c10-8-4-6-2-1-3-7(6)5-9-8/h4-5H,1-3H2,(H,9,10)
InChIKeyRGLVIBYOXXKPPK-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.86
Rot. Bonds

About 2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one

2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one (PubChem CID 56972682) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one.

Molecular Properties

Compound Name2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one
PubChem CID56972682
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one
SMILESO=c1cc2c(c[nH]1)CCC2
InChIInChI=1S/C8H9NO/c10-8-4-6-2-1-3-7(6)5-9-8/h4-5H,1-3H2,(H,9,10)
InChIKeyRGLVIBYOXXKPPK-UHFFFAOYSA-N
XLogP0.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Hydroxyisoquinoline
CID 2736554
2,3,5,6,7,8-Hexahydroisoquinolin-3-one
CID 14494728
3-oxo-2H,3H,5H,6H,7H-cyclopenta(c)pyridine-4-carbonitrile
CID 13157363
5-Ethyl-2-pyridinol
CID 19365871
7-Methyl-2,3-dihydroisoquinolin-3-one
CID 21541258
5-Cyclopropylpyridin-2-ol
CID 21690649
4-Ethylpyridin-2(1H)-one
CID 19378747
4-Propylpyridone
CID 45787940
8-Fluoro-5-methylisoquinolin-3-ol
CID 67520712
5-ethyl-4-fluoro-1H-pyridin-2-one
CID 118005240
5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 119086696
5-prop-2-enyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 176154186

Frequently Asked Questions

What is the IUPAC name of 2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one?
The IUPAC name of 2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one (CID 56972682) is 2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one.
What is the SMILES notation for 2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one?
The canonical SMILES for 2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one is O=c1cc2c(c[nH]1)CCC2.
What is the InChIKey of 2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one?
The InChIKey is RGLVIBYOXXKPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-8-4-6-2-1-3-7(6)5-9-8/h4-5H,1-3H2,(H,9,10).
What are the key properties of 2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one?
2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one has a molecular weight of 135.17 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one is sourced from PubChem (CID 56972682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).