1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one

C13H18N2O3 — CID 66261805

IUPAC1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCC[C@@H]1CO
InChIInChI=1S/C13H18N2O3/c16-10-11-4-3-8-15(11)13(18)6-9-14-7-2-1-5-12(14)17/h1-2,5,7,11,16H,3-4,6,8-10H2/t11-/m1/s1
InChIKeyMASIBWRYWRPBQB-LLVKDONJSA-N
MW250.30 g/mol
LogP0.22
Rot. Bonds4

About 1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 66261805) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID66261805
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCC[C@@H]1CO
InChIInChI=1S/C13H18N2O3/c16-10-11-4-3-8-15(11)13(18)6-9-14-7-2-1-5-12(14)17/h1-2,5,7,11,16H,3-4,6,8-10H2/t11-/m1/s1
InChIKeyMASIBWRYWRPBQB-LLVKDONJSA-N
XLogP0.22
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 116636217
1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 95298452
N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
CID 78862576
1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95868023
1-[3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95762367
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
1-[3-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96580971
1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 154746476
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 79028625
(2S,4R)-4-hydroxy-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 63842998
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 66261805) is 1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCC[C@@H]1CO.
What is the InChIKey of 1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is MASIBWRYWRPBQB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-11-4-3-8-15(11)13(18)6-9-14-7-2-1-5-12(14)17/h1-2,5,7,11,16H,3-4,6,8-10H2/t11-/m1/s1.
What are the key properties of 1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 66261805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).