1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C14H19NO2 — CID 82522879

IUPAC1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESO=c1c(CO)cc2c(n1C1CCCC1)CCC2
InChIInChI=1S/C14H19NO2/c16-9-11-8-10-4-3-7-13(10)15(14(11)17)12-5-1-2-6-12/h8,12,16H,1-7,9H2
InChIKeyFYBSAXLPFCIFIN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.94
Rot. Bonds2

About 1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82522879) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82522879
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESO=c1c(CO)cc2c(n1C1CCCC1)CCC2
InChIInChI=1S/C14H19NO2/c16-9-11-8-10-4-3-7-13(10)15(14(11)17)12-5-1-2-6-12/h8,12,16H,1-7,9H2
InChIKeyFYBSAXLPFCIFIN-UHFFFAOYSA-N
XLogP1.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
CID 82522847
1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522868
2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile
CID 82522250
3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522451
1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522859
3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522850
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
CID 82522241
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
CID 82522239
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 82522253
1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82523116
3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523085

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82522879) is 1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is O=c1c(CO)cc2c(n1C1CCCC1)CCC2.
What is the InChIKey of 1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is FYBSAXLPFCIFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-9-11-8-10-4-3-7-13(10)15(14(11)17)12-5-1-2-6-12/h8,12,16H,1-7,9H2.
What are the key properties of 1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82522879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).