4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one

C14H20N2O2 — CID 168661593

IUPAC4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one
SMILESCC(C)C(c1ccncc1)N1CC(CO)CC1=O
InChIInChI=1S/C14H20N2O2/c1-10(2)14(12-3-5-15-6-4-12)16-8-11(9-17)7-13(16)18/h3-6,10-11,14,17H,7-9H2,1-2H3
InChIKeyZGLIUABCMQHUOS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.62
Rot. Bonds4

About 4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one (PubChem CID 168661593) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one
PubChem CID168661593
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one
SMILESCC(C)C(c1ccncc1)N1CC(CO)CC1=O
InChIInChI=1S/C14H20N2O2/c1-10(2)14(12-3-5-15-6-4-12)16-8-11(9-17)7-13(16)18/h3-6,10-11,14,17H,7-9H2,1-2H3
InChIKeyZGLIUABCMQHUOS-UHFFFAOYSA-N
XLogP1.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methyl-1-pyridin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672467
1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 104830094
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 130979524
1-[fluoro(phenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 139653065
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220
4-(hydroxymethyl)-1-[(4-methylphenyl)-phenylmethyl]pyrrolidin-2-one
CID 168661723
4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one
CID 168661627
4-(hydroxymethyl)-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-one
CID 168661728
2-(3-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661738
4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 68806012
5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168713177

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one (CID 168661593) is 4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one is CC(C)C(c1ccncc1)N1CC(CO)CC1=O.
What is the InChIKey of 4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one?
The InChIKey is ZGLIUABCMQHUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)14(12-3-5-15-6-4-12)16-8-11(9-17)7-13(16)18/h3-6,10-11,14,17H,7-9H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168661593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).