3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one

C17H24N2O2 — CID 110020239

IUPAC3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCC(N3CCC(C(C)O)C3)C2=O)cc1
InChIInChI=1S/C17H24N2O2/c1-12-3-5-15(6-4-12)19-10-8-16(17(19)21)18-9-7-14(11-18)13(2)20/h3-6,13-14,16,20H,7-11H2,1-2H3
InChIKeySHZIHEZBYNZTFO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.80
Rot. Bonds3

About 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one

3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 110020239) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID110020239
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCC(N3CCC(C(C)O)C3)C2=O)cc1
InChIInChI=1S/C17H24N2O2/c1-12-3-5-15(6-4-12)19-10-8-16(17(19)21)18-9-7-14(11-18)13(2)20/h3-6,13-14,16,20H,7-11H2,1-2H3
InChIKeySHZIHEZBYNZTFO-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020445
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-phenylpyrrolidin-2-one
CID 110020226
1-(4-chloro-3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020322
1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one
CID 84597909
1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
CID 110020111
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110023693
1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one
CID 99846809
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358265
1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
CID 111380901
1-(4-methylphenyl)-3-[4-[(1S,2R,4S,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]piperazin-1-yl]pyrrolidin-2-one
CID 167894514
2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 115039420
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 110020239) is 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CCC(N3CCC(C(C)O)C3)C2=O)cc1.
What is the InChIKey of 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is SHZIHEZBYNZTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-3-5-15(6-4-12)19-10-8-16(17(19)21)18-9-7-14(11-18)13(2)20/h3-6,13-14,16,20H,7-11H2,1-2H3.
What are the key properties of 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 110020239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).