(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one

C18H24N2O2 — CID 175838048

IUPAC(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CC[C@@H]2CC(=O)N2CCCC2)cc1
InChIInChI=1S/C18H24N2O2/c1-14-4-6-15(7-5-14)13-20-16(8-9-17(20)21)12-18(22)19-10-2-3-11-19/h4-7,16H,2-3,8-13H2,1H3/t16-/m1/s1
InChIKeyOFEYILJHHKPGMX-MRXNPFEDSA-N
MW300.40 g/mol
LogP2.50
Rot. Bonds4

About (5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one

(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one (PubChem CID 175838048) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
PubChem CID175838048
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CC[C@@H]2CC(=O)N2CCCC2)cc1
InChIInChI=1S/C18H24N2O2/c1-14-4-6-15(7-5-14)13-20-16(8-9-17(20)21)12-18(22)19-10-2-3-11-19/h4-7,16H,2-3,8-13H2,1H3/t16-/m1/s1
InChIKeyOFEYILJHHKPGMX-MRXNPFEDSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
CID 166541670
1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 175838103
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
2-[(3S)-7-methyl-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-1-piperidin-1-ylethanone
CID 95055884
methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate
CID 175838128
2-(2,4-dimethylphenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838008
(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697321
methyl 4-[[2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 26344788
2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838157
N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541716
1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168
(3aS,6aR)-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683266

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one (CID 175838048) is (5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one is Cc1ccc(CN2C(=O)CC[C@@H]2CC(=O)N2CCCC2)cc1.
What is the InChIKey of (5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
The InChIKey is OFEYILJHHKPGMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14-4-6-15(7-5-14)13-20-16(8-9-17(20)21)12-18(22)19-10-2-3-11-19/h4-7,16H,2-3,8-13H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one?
(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 175838048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).