1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one

C15H26N2O3 — CID 17082561

IUPAC1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESCCCCN1CC(C(=O)N2CC(C)OC(C)C2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-4-5-6-16-10-13(7-14(16)18)15(19)17-8-11(2)20-12(3)9-17/h11-13H,4-10H2,1-3H3
InChIKeyKSCKKBHKYKALFG-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.27
Rot. Bonds4

About 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one

1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 17082561) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID17082561
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESCCCCN1CC(C(=O)N2CC(C)OC(C)C2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-4-5-6-16-10-13(7-14(16)18)15(19)17-8-11(2)20-12(3)9-17/h11-13H,4-10H2,1-3H3
InChIKeyKSCKKBHKYKALFG-UHFFFAOYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 27186995
1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
(4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 29056896
4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 113185711
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
ethyl 4-(5-oxo-1-pentylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113185693
4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 74233567
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one (CID 17082561) is 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one is CCCCN1CC(C(=O)N2CC(C)OC(C)C2)CC1=O.
What is the InChIKey of 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is KSCKKBHKYKALFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-5-6-16-10-13(7-14(16)18)15(19)17-8-11(2)20-12(3)9-17/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 282.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 17082561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).