2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one

C11H13NO2 — CID 86055982

IUPAC2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one
SMILESO=C1CCCC1C(O)c1ccccn1
InChIInChI=1S/C11H13NO2/c13-10-6-3-4-8(10)11(14)9-5-1-2-7-12-9/h1-2,5,7-8,11,14H,3-4,6H2
InChIKeyOCJWZSOZLVSYDU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.48
Rot. Bonds2

About 2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one

2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one (PubChem CID 86055982) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one
PubChem CID86055982
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one
SMILESO=C1CCCC1C(O)c1ccccn1
InChIInChI=1S/C11H13NO2/c13-10-6-3-4-8(10)11(14)9-5-1-2-7-12-9/h1-2,5,7-8,11,14H,3-4,6H2
InChIKeyOCJWZSOZLVSYDU-UHFFFAOYSA-N
XLogP1.48
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
(2S)-2-[(S)-(2-fluorophenyl)-hydroxymethyl]cyclohexan-1-one
CID 54752641
(2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid
CID 151367780
(2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one
CID 101202152
2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one
CID 132822025
1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63771109
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
2-amino-1-cyclopropyl-2-pyridin-2-ylethanol
CID 82409953
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
4-[4-[(R)-hydroxy-[(1S)-2-oxocyclopentyl]methyl]phenyl]benzonitrile
CID 57412903

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one (CID 86055982) is 2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one is O=C1CCCC1C(O)c1ccccn1.
What is the InChIKey of 2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one?
The InChIKey is OCJWZSOZLVSYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-6-3-4-8(10)11(14)9-5-1-2-7-12-9/h1-2,5,7-8,11,14H,3-4,6H2.
What are the key properties of 2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one?
2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 86055982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).