4-(morpholin-4-ylmethyl)pyrrolidin-2-one

C9H16N2O2 — CID 91623583

IUPAC4-(morpholin-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CN2CCOCC2)CN1
InChIInChI=1S/C9H16N2O2/c12-9-5-8(6-10-9)7-11-1-3-13-4-2-11/h8H,1-7H2,(H,10,12)
InChIKeyPOGMMUHFHIRKQM-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.55
Rot. Bonds2

About 4-(morpholin-4-ylmethyl)pyrrolidin-2-one

4-(morpholin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 91623583) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)pyrrolidin-2-one
PubChem CID91623583
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-(morpholin-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CN2CCOCC2)CN1
InChIInChI=1S/C9H16N2O2/c12-9-5-8(6-10-9)7-11-1-3-13-4-2-11/h8H,1-7H2,(H,10,12)
InChIKeyPOGMMUHFHIRKQM-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(morpholin-4-ylmethyl)pyrrolidin-2-one (CID 91623583) is 4-(morpholin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(morpholin-4-ylmethyl)pyrrolidin-2-one is O=C1CC(CN2CCOCC2)CN1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is POGMMUHFHIRKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9-5-8(6-10-9)7-11-1-3-13-4-2-11/h8H,1-7H2,(H,10,12).
What are the key properties of 4-(morpholin-4-ylmethyl)pyrrolidin-2-one?
4-(morpholin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 91623583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).