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

C15H18N2O3 — CID 3240054

IUPAC1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCOCC1
InChIInChI=1S/C15H18N2O3/c18-14-2-1-7-17(14)13-5-3-12(4-6-13)15(19)16-8-10-20-11-9-16/h3-6H,1-2,7-11H2
InChIKeyBPGXXTGHUMVTMU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.29
Rot. Bonds2

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

1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 3240054) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID3240054
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCOCC1
InChIInChI=1S/C15H18N2O3/c18-14-2-1-7-17(14)13-5-3-12(4-6-13)15(19)16-8-10-20-11-9-16/h3-6H,1-2,7-11H2
InChIKeyBPGXXTGHUMVTMU-UHFFFAOYSA-N
XLogP1.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one (CID 3240054) is 1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one is O=C(c1ccc(N2CCCC2=O)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is BPGXXTGHUMVTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-2-1-7-17(14)13-5-3-12(4-6-13)15(19)16-8-10-20-11-9-16/h3-6H,1-2,7-11H2.
What are the key properties of 1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholine-4-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 3240054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).