5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one

C17H23NO4 — CID 134877369

IUPAC5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one
SMILESCN1C(=O)CC(CCC2(C)OCCO2)(c2ccccc2)C1O
InChIInChI=1S/C17H23NO4/c1-16(21-10-11-22-16)8-9-17(13-6-4-3-5-7-13)12-14(19)18(2)15(17)20/h3-7,15,20H,8-12H2,1-2H3
InChIKeyDNWNINLHHLPABF-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.65
Rot. Bonds4

About 5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one

5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one (PubChem CID 134877369) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one
PubChem CID134877369
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one
SMILESCN1C(=O)CC(CCC2(C)OCCO2)(c2ccccc2)C1O
InChIInChI=1S/C17H23NO4/c1-16(21-10-11-22-16)8-9-17(13-6-4-3-5-7-13)12-14(19)18(2)15(17)20/h3-7,15,20H,8-12H2,1-2H3
InChIKeyDNWNINLHHLPABF-UHFFFAOYSA-N
XLogP1.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 5-hydroxy-2-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pentanoate
CID 19705482
(2S,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-1-pyrrolidin-1-ylpent-4-en-1-one
CID 10640101
(1'S,6'R,9'R)-7'-benzyl-9'-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one
CID 10781741
(3'R,3'aR)-1'-benzyl-3'-(2-hydroxyethyl)-3'a-methylspiro[1,3-dioxolane-2,5'-4,6-dihydro-3H-indole]-2'-one
CID 102472919
1-[(3R)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one
CID 110142936
1-[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one
CID 110142996

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one (CID 134877369) is 5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one is CN1C(=O)CC(CCC2(C)OCCO2)(c2ccccc2)C1O.
What is the InChIKey of 5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one?
The InChIKey is DNWNINLHHLPABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-16(21-10-11-22-16)8-9-17(13-6-4-3-5-7-13)12-14(19)18(2)15(17)20/h3-7,15,20H,8-12H2,1-2H3.
What are the key properties of 5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one?
5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one has a molecular weight of 305.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 134877369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).