1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C14H19NO3 — CID 104753376

IUPAC1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESO=c1ccc2c(n1CC(O)C1CCOC1)CCC2
InChIInChI=1S/C14H19NO3/c16-13(11-6-7-18-9-11)8-15-12-3-1-2-10(12)4-5-14(15)17/h4-5,11,13,16H,1-3,6-9H2
InChIKeyOHBFSNMYTHVNJV-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.73
Rot. Bonds3

About 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 104753376) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID104753376
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESO=c1ccc2c(n1CC(O)C1CCOC1)CCC2
InChIInChI=1S/C14H19NO3/c16-13(11-6-7-18-9-11)8-15-12-3-1-2-10(12)4-5-14(15)17/h4-5,11,13,16H,1-3,6-9H2
InChIKeyOHBFSNMYTHVNJV-UHFFFAOYSA-N
XLogP0.73
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-cyclohexyl-2-(methylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104748148
1-[2-cyclohexyl-2-(ethylamino)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104748154
2-(2,3-dihydroindol-1-yl)-1-(oxolan-3-yl)ethanol
CID 113449076
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 104753310
1-[3-methyl-2-(methylamino)pentyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391010
1-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 122623826
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-4-methylpiperazine-2,5-dione
CID 113449251
2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756
1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
CID 104747379
1-[2-(dimethylamino)ethyl]-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 134073501
2-(2-methylpyrrolidin-1-yl)-1-(oxolan-3-yl)ethanol
CID 104752366
2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol
CID 104753209

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 104753376) is 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is O=c1ccc2c(n1CC(O)C1CCOC1)CCC2.
What is the InChIKey of 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is OHBFSNMYTHVNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(11-6-7-18-9-11)8-15-12-3-1-2-10(12)4-5-14(15)17/h4-5,11,13,16H,1-3,6-9H2.
What are the key properties of 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 104753376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).