[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone

C11H14N2O2 — CID 66291772

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H14N2O2/c1-8-3-2-5-12-10(8)11(15)13-6-4-9(14)7-13/h2-3,5,9,14H,4,6-7H2,1H3/t9-/m1/s1
InChIKeyBNFLOXSVSGOKMI-SECBINFHSA-N
MW206.25 g/mol
LogP0.60
Rot. Bonds1

About [(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 66291772) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID66291772
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H14N2O2/c1-8-3-2-5-12-10(8)11(15)13-6-4-9(14)7-13/h2-3,5,9,14H,4,6-7H2,1H3/t9-/m1/s1
InChIKeyBNFLOXSVSGOKMI-SECBINFHSA-N
XLogP0.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one
CID 114499935
(3-methyl-2-pyridinyl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245569
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
(3-methyl-2-pyridinyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 125022820
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379
1-[(4S,5S)-5-hydroxy-1-(3-methylpyridine-2-carbonyl)azepan-4-yl]pyrimidine-2,4-dione
CID 110126939
5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122117858
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-2-pyridinyl)methanone
CID 110156165
4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79674607

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 66291772) is [(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is BNFLOXSVSGOKMI-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-3-2-5-12-10(8)11(15)13-6-4-9(14)7-13/h2-3,5,9,14H,4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 206.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 66291772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).