5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one

C17H22N2O3 — CID 110740938

IUPAC5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCOC(CCc3ccccc3)C2)N1
InChIInChI=1S/C17H22N2O3/c20-16-9-8-15(18-16)17(21)19-10-11-22-14(12-19)7-6-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,18,20)
InChIKeyCGXKVBFNBQMUJJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.13
Rot. Bonds4

About 5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one

5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 110740938) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID110740938
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCOC(CCc3ccccc3)C2)N1
InChIInChI=1S/C17H22N2O3/c20-16-9-8-15(18-16)17(21)19-10-11-22-14(12-19)7-6-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,18,20)
InChIKeyCGXKVBFNBQMUJJ-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
5-[2-(aminomethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 114398200
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
CID 45219447
5-[2-(cyclopropylmethoxymethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 127935355
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone
CID 97305915
2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
CID 120550218

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one (CID 110740938) is 5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCOC(CCc3ccccc3)C2)N1.
What is the InChIKey of 5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is CGXKVBFNBQMUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16-9-8-15(18-16)17(21)19-10-11-22-14(12-19)7-6-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,18,20).
What are the key properties of 5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one?
5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-phenylethyl)morpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110740938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).