1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one

C13H18N2O3 — CID 103726896

IUPAC1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESCC1(O)CCN(C(=O)CCn2ccccc2=O)C1
InChIInChI=1S/C13H18N2O3/c1-13(18)6-9-15(10-13)12(17)5-8-14-7-3-2-4-11(14)16/h2-4,7,18H,5-6,8-10H2,1H3
InChIKeyCTCSXPFKRFQHNJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.22
Rot. Bonds3

About 1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one

1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one (PubChem CID 103726896) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one
PubChem CID103726896
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESCC1(O)CCN(C(=O)CCn2ccccc2=O)C1
InChIInChI=1S/C13H18N2O3/c1-13(18)6-9-15(10-13)12(17)5-8-14-7-3-2-4-11(14)16/h2-4,7,18H,5-6,8-10H2,1H3
InChIKeyCTCSXPFKRFQHNJ-UHFFFAOYSA-N
XLogP0.22
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56896758
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one
CID 113343955
4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4-diazepan-2-one
CID 62898319
(5R)-7-(cyclopropylmethyl)-2-[3-(2-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97131680
2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 167849089
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355732
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605
1-[3-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 155991024
1-[3-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 155500037
5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 103727186
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103726885
1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one
CID 112689214

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one (CID 103726896) is 1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one is CC1(O)CCN(C(=O)CCn2ccccc2=O)C1.
What is the InChIKey of 1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one?
The InChIKey is CTCSXPFKRFQHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(18)6-9-15(10-13)12(17)5-8-14-7-3-2-4-11(14)16/h2-4,7,18H,5-6,8-10H2,1H3.
What are the key properties of 1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one?
1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 103726896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).