1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one

C17H22N2O3 — CID 110631322

IUPAC1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESCC1CN(C(=O)C2CCC(=O)N2Cc2ccccc2)CCO1
InChIInChI=1S/C17H22N2O3/c1-13-11-18(9-10-22-13)17(21)15-7-8-16(20)19(15)12-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyFTUGGQAIXMVWMQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.42
Rot. Bonds3

About 1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one

1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 110631322) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID110631322
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESCC1CN(C(=O)C2CCC(=O)N2Cc2ccccc2)CCO1
InChIInChI=1S/C17H22N2O3/c1-13-11-18(9-10-22-13)17(21)15-7-8-16(20)19(15)12-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyFTUGGQAIXMVWMQ-UHFFFAOYSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110629818
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248281
(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697321
(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90675575
1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110387617
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
(5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 95739109
methyl (2R)-4-[(2R)-1-benzylpyrrolidine-2-carbonyl]morpholine-2-carboxylate
CID 124527886
(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one
CID 119411274
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 100815989

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one (CID 110631322) is 1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one is CC1CN(C(=O)C2CCC(=O)N2Cc2ccccc2)CCO1.
What is the InChIKey of 1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is FTUGGQAIXMVWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-11-18(9-10-22-13)17(21)15-7-8-16(20)19(15)12-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3.
What are the key properties of 1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one?
1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110631322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).