4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

C11H14N2O3 — CID 103766238

IUPAC4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESCC1(O)CCN(C(=O)c2cc[nH]c(=O)c2)C1
InChIInChI=1S/C11H14N2O3/c1-11(16)3-5-13(7-11)10(15)8-2-4-12-9(14)6-8/h2,4,6,16H,3,5,7H2,1H3,(H,12,14)
InChIKeyGXPRHNZONMAVHJ-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.03
Rot. Bonds1

About 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 103766238) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID103766238
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESCC1(O)CCN(C(=O)c2cc[nH]c(=O)c2)C1
InChIInChI=1S/C11H14N2O3/c1-11(16)3-5-13(7-11)10(15)8-2-4-12-9(14)6-8/h2,4,6,16H,3,5,7H2,1H3,(H,12,14)
InChIKeyGXPRHNZONMAVHJ-UHFFFAOYSA-N
XLogP-0.03
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (CID 103766238) is 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is CC1(O)CCN(C(=O)c2cc[nH]c(=O)c2)C1.
What is the InChIKey of 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is GXPRHNZONMAVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(16)3-5-13(7-11)10(15)8-2-4-12-9(14)6-8/h2,4,6,16H,3,5,7H2,1H3,(H,12,14).
What are the key properties of 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 222.24 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 103766238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).