1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one

C14H21NO2 — CID 157368118

IUPAC1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2CCC[C@H]2O)c1=O
InChIInChI=1S/C14H21NO2/c1-10(2)9-11-5-4-8-15(14(11)17)12-6-3-7-13(12)16/h4-5,8,10,12-13,16H,3,6-7,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyIEIQCDRXWQUCAR-QWHCGFSZSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds3

About 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one

1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one (PubChem CID 157368118) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one
PubChem CID157368118
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2CCC[C@H]2O)c1=O
InChIInChI=1S/C14H21NO2/c1-10(2)9-11-5-4-8-15(14(11)17)12-6-3-7-13(12)16/h4-5,8,10,12-13,16H,3,6-7,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyIEIQCDRXWQUCAR-QWHCGFSZSA-N
XLogP2.13
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one (CID 157368118) is 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one is CC(C)Cc1cccn([C@H]2CCC[C@H]2O)c1=O.
What is the InChIKey of 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one?
The InChIKey is IEIQCDRXWQUCAR-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)9-11-5-4-8-15(14(11)17)12-6-3-7-13(12)16/h4-5,8,10,12-13,16H,3,6-7,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one?
1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 157368118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).