1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one

C18H24N2O3 — CID 110624414

IUPAC1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESCC1CN(C(=O)C2CC(=O)N(c3ccccc3)C2)C(C)(C)CO1
InChIInChI=1S/C18H24N2O3/c1-13-10-20(18(2,3)12-23-13)17(22)14-9-16(21)19(11-14)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3
InChIKeyLPSJDDNTDPZEMJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.07
Rot. Bonds2

About 1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one

1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 110624414) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID110624414
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESCC1CN(C(=O)C2CC(=O)N(c3ccccc3)C2)C(C)(C)CO1
InChIInChI=1S/C18H24N2O3/c1-13-10-20(18(2,3)12-23-13)17(22)14-9-16(21)19(11-14)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3
InChIKeyLPSJDDNTDPZEMJ-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110624484
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one
CID 110465044
N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide
CID 138111840
1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110421848
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 7449418

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one (CID 110624414) is 1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one is CC1CN(C(=O)C2CC(=O)N(c3ccccc3)C2)C(C)(C)CO1.
What is the InChIKey of 1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is LPSJDDNTDPZEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-10-20(18(2,3)12-23-13)17(22)14-9-16(21)19(11-14)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110624414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).