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

C16H23NO2 — CID 82522859

IUPAC1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(C)(O)c1cc2c(n(C3CCCC3)c1=O)CCC2
InChIInChI=1S/C16H23NO2/c1-16(2,19)13-10-11-6-5-9-14(11)17(15(13)18)12-7-3-4-8-12/h10,12,19H,3-9H2,1-2H3
InChIKeyKIMVTFKVCPKYSQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.68
Rot. Bonds2

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

1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82522859) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82522859
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(C)(O)c1cc2c(n(C3CCCC3)c1=O)CCC2
InChIInChI=1S/C16H23NO2/c1-16(2,19)13-10-11-6-5-9-14(11)17(15(13)18)12-7-3-4-8-12/h10,12,19H,3-9H2,1-2H3
InChIKeyKIMVTFKVCPKYSQ-UHFFFAOYSA-N
XLogP2.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522850
1-cyclopropyl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521552
1-cyclopentyl-3-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522879
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
3-(1-aminoethyl)-1-cyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523085
1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522868
6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one
CID 82523536
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
CID 82522241
3-(1-cyclopentyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)propanoyl chloride
CID 82522847
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
1-cyclopropyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82522466

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82522859) is 1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CC(C)(O)c1cc2c(n(C3CCCC3)c1=O)CCC2.
What is the InChIKey of 1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is KIMVTFKVCPKYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,19)13-10-11-6-5-9-14(11)17(15(13)18)12-7-3-4-8-12/h10,12,19H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 261.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82522859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).