4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one

C17H22N2O3 — CID 53181867

IUPAC4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCOCC2)CN1CCc1ccccc1
InChIInChI=1S/C17H22N2O3/c20-16-12-15(17(21)18-8-10-22-11-9-18)13-19(16)7-6-14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyXFRFIIYTJARXKG-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.94
Rot. Bonds4

About 4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one

4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 53181867) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID53181867
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCOCC2)CN1CCc1ccccc1
InChIInChI=1S/C17H22N2O3/c20-16-12-15(17(21)18-8-10-22-11-9-18)13-19(16)7-6-14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyXFRFIIYTJARXKG-UHFFFAOYSA-N
XLogP0.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one (CID 53181867) is 4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCOCC2)CN1CCc1ccccc1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is XFRFIIYTJARXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16-12-15(17(21)18-8-10-22-11-9-18)13-19(16)7-6-14-4-2-1-3-5-14/h1-5,15H,6-13H2.
What are the key properties of 4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one?
4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 53181867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).