4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C12H16N2O3 — CID 79029096

IUPAC4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC[C@@H]2CO)cc1=O
InChIInChI=1S/C12H16N2O3/c1-13-6-4-9(7-11(13)16)12(17)14-5-2-3-10(14)8-15/h4,6-7,10,15H,2-3,5,8H2,1H3/t10-/m1/s1
InChIKeyDUISFVFZYRLYGV-SNVBAGLBSA-N
MW236.27 g/mol
LogP-0.02
Rot. Bonds2

About 4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 79029096) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID79029096
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC[C@@H]2CO)cc1=O
InChIInChI=1S/C12H16N2O3/c1-13-6-4-9(7-11(13)16)12(17)14-5-2-3-10(14)8-15/h4,6-7,10,15H,2-3,5,8H2,1H3/t10-/m1/s1
InChIKeyDUISFVFZYRLYGV-SNVBAGLBSA-N
XLogP-0.02
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 79029096) is 4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCC[C@@H]2CO)cc1=O.
What is the InChIKey of 4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is DUISFVFZYRLYGV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-6-4-9(7-11(13)16)12(17)14-5-2-3-10(14)8-15/h4,6-7,10,15H,2-3,5,8H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 79029096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).