4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one

C15H21NO2 — CID 117023014

IUPAC4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCC1(C)C(CO)CC(=O)N1CCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-15(2)13(11-17)10-14(18)16(15)9-8-12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3
InChIKeyCSLZZHYCXCEDKF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.85
Rot. Bonds4

About 4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one

4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 117023014) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID117023014
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCC1(C)C(CO)CC(=O)N1CCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-15(2)13(11-17)10-14(18)16(15)9-8-12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3
InChIKeyCSLZZHYCXCEDKF-UHFFFAOYSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-ethyl-1-(2-phenylethyl)azetidin-2-one
CID 135071116
[(1R,2R)-2-methyl-2-(2-phenylethyl)cyclopropyl]methanol
CID 10535692
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one
CID 117008961
1-(3,4-dimethylphenyl)-4-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 117023026
(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
CID 134918254
3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 85230706
2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 117016985
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 2187415
2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione
CID 86233009
N-methyl-5-oxo-1-(2-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 86920305
1-[2-(3-bromophenyl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663110

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one (CID 117023014) is 4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one is CC1(C)C(CO)CC(=O)N1CCc1ccccc1.
What is the InChIKey of 4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is CSLZZHYCXCEDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)13(11-17)10-14(18)16(15)9-8-12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one?
4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 117023014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).