1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one

C17H22N2O3 — CID 42943561

IUPAC1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
SMILESCCC1CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCO1
InChIInChI=1S/C17H22N2O3/c1-2-15-12-18(10-11-22-15)17(21)13-5-7-14(8-6-13)19-9-3-4-16(19)20/h5-8,15H,2-4,9-12H2,1H3
InChIKeyUYSHWDVPFGGEMD-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.06
Rot. Bonds3

About 1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one

1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 42943561) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID42943561
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
SMILESCCC1CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCO1
InChIInChI=1S/C17H22N2O3/c1-2-15-12-18(10-11-22-15)17(21)13-5-7-14(8-6-13)19-9-3-4-16(19)20/h5-8,15H,2-4,9-12H2,1H3
InChIKeyUYSHWDVPFGGEMD-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 126793187
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
1-[4-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 38372185
1-[4-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 3823221
2-[(2R)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125119172
(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
CID 43070670
1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110619098
(2R)-2-ethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 124625433
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]pyrrolidin-2-one
CID 9296296
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one (CID 42943561) is 1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one is CCC1CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCO1.
What is the InChIKey of 1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is UYSHWDVPFGGEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-15-12-18(10-11-22-15)17(21)13-5-7-14(8-6-13)19-9-3-4-16(19)20/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 42943561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).