(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one

C9H14N2O3 — CID 21117841

IUPAC(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCOCC2)N1
InChIInChI=1S/C9H14N2O3/c12-8-2-1-7(10-8)9(13)11-3-5-14-6-4-11/h7H,1-6H2,(H,10,12)/t7-/m0/s1
InChIKeyWPDJMBAXQKFEOI-ZETCQYMHSA-N
MW198.22 g/mol
LogP-0.88
Rot. Bonds1

About (5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one

(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 21117841) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID21117841
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCOCC2)N1
InChIInChI=1S/C9H14N2O3/c12-8-2-1-7(10-8)9(13)11-3-5-14-6-4-11/h7H,1-6H2,(H,10,12)/t7-/m0/s1
InChIKeyWPDJMBAXQKFEOI-ZETCQYMHSA-N
XLogP-0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one (CID 21117841) is (5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCOCC2)N1.
What is the InChIKey of (5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is WPDJMBAXQKFEOI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8-2-1-7(10-8)9(13)11-3-5-14-6-4-11/h7H,1-6H2,(H,10,12)/t7-/m0/s1.
What are the key properties of (5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one?
(5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 198.22 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(morpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 21117841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).