3-morpholin-4-ylpyrrol-2-one

C8H10N2O2 — CID 141243061

IUPAC3-morpholin-4-ylpyrrol-2-one
SMILESO=C1N=CC=C1N1CCOCC1
InChIInChI=1S/C8H10N2O2/c11-8-7(1-2-9-8)10-3-5-12-6-4-10/h1-2H,3-6H2
InChIKeyHWAREDKJKKKYIQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.19
Rot. Bonds1

About 3-morpholin-4-ylpyrrol-2-one

3-morpholin-4-ylpyrrol-2-one (PubChem CID 141243061) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-morpholin-4-ylpyrrol-2-one.

Molecular Properties

Compound Name3-morpholin-4-ylpyrrol-2-one
PubChem CID141243061
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-morpholin-4-ylpyrrol-2-one
SMILESO=C1N=CC=C1N1CCOCC1
InChIInChI=1S/C8H10N2O2/c11-8-7(1-2-9-8)10-3-5-12-6-4-10/h1-2H,3-6H2
InChIKeyHWAREDKJKKKYIQ-UHFFFAOYSA-N
XLogP-0.19
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpyrrol-2-one?
The IUPAC name of 3-morpholin-4-ylpyrrol-2-one (CID 141243061) is 3-morpholin-4-ylpyrrol-2-one.
What is the SMILES notation for 3-morpholin-4-ylpyrrol-2-one?
The canonical SMILES for 3-morpholin-4-ylpyrrol-2-one is O=C1N=CC=C1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpyrrol-2-one?
The InChIKey is HWAREDKJKKKYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8-7(1-2-9-8)10-3-5-12-6-4-10/h1-2H,3-6H2.
What are the key properties of 3-morpholin-4-ylpyrrol-2-one?
3-morpholin-4-ylpyrrol-2-one has a molecular weight of 166.18 g/mol, XLogP of -0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpyrrol-2-one is sourced from PubChem (CID 141243061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).