1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one

C17H25NO2 — CID 104512576

IUPAC1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(O)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H25NO2/c1-4-5-14-9-17(20)18(10-14)11-16(19)15-7-6-12(2)13(3)8-15/h6-8,14,16,19H,4-5,9-11H2,1-3H3
InChIKeyRYDOVHKCAXEOIW-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one

1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one (PubChem CID 104512576) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
PubChem CID104512576
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(O)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H25NO2/c1-4-5-14-9-17(20)18(10-14)11-16(19)15-7-6-12(2)13(3)8-15/h6-8,14,16,19H,4-5,9-11H2,1-3H3
InChIKeyRYDOVHKCAXEOIW-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-amino-2-(3,4-dimethylphenyl)ethyl]-4-propylpyrrolidin-2-one
CID 104511396
1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512578
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512586
1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one
CID 63104056
1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 104511593
1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]pyridin-4-one
CID 55127615
4-(chloromethyl)-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168506792
1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylpyrrolidin-2-one
CID 63100802
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one
CID 107523045
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
CID 104511373
4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one
CID 104512641
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one (CID 104512576) is 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CC(O)c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one?
The InChIKey is RYDOVHKCAXEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-5-14-9-17(20)18(10-14)11-16(19)15-7-6-12(2)13(3)8-15/h6-8,14,16,19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one?
1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104512576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).