5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one

C11H18N2O3 — CID 110744411

IUPAC5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESCC1CN(C(=O)C2CCC(=O)N2)C(C)CO1
InChIInChI=1S/C11H18N2O3/c1-7-6-16-8(2)5-13(7)11(15)9-3-4-10(14)12-9/h7-9H,3-6H2,1-2H3,(H,12,14)
InChIKeyNJEAPCWAQNQFBZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds1

About 5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one

5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 110744411) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID110744411
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESCC1CN(C(=O)C2CCC(=O)N2)C(C)CO1
InChIInChI=1S/C11H18N2O3/c1-7-6-16-8(2)5-13(7)11(15)9-3-4-10(14)12-9/h7-9H,3-6H2,1-2H3,(H,12,14)
InChIKeyNJEAPCWAQNQFBZ-UHFFFAOYSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one (CID 110744411) is 5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one is CC1CN(C(=O)C2CCC(=O)N2)C(C)CO1.
What is the InChIKey of 5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is NJEAPCWAQNQFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-6-16-8(2)5-13(7)11(15)9-3-4-10(14)12-9/h7-9H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one?
5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110744411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).