4-propanoylmorpholin-3-one

C7H11NO3 — CID 163239451

IUPAC4-propanoylmorpholin-3-one
SMILESCCC(=O)N1CCOCC1=O
InChIInChI=1S/C7H11NO3/c1-2-6(9)8-3-4-11-5-7(8)10/h2-5H2,1H3
InChIKeyZIXFTBRPGXDNOG-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.22
Rot. Bonds1

About 4-propanoylmorpholin-3-one

4-propanoylmorpholin-3-one (PubChem CID 163239451) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-propanoylmorpholin-3-one.

Molecular Properties

Compound Name4-propanoylmorpholin-3-one
PubChem CID163239451
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-propanoylmorpholin-3-one
SMILESCCC(=O)N1CCOCC1=O
InChIInChI=1S/C7H11NO3/c1-2-6(9)8-3-4-11-5-7(8)10/h2-5H2,1H3
InChIKeyZIXFTBRPGXDNOG-UHFFFAOYSA-N
XLogP-0.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propanoylmorpholin-3-one?
The IUPAC name of 4-propanoylmorpholin-3-one (CID 163239451) is 4-propanoylmorpholin-3-one.
What is the SMILES notation for 4-propanoylmorpholin-3-one?
The canonical SMILES for 4-propanoylmorpholin-3-one is CCC(=O)N1CCOCC1=O.
What is the InChIKey of 4-propanoylmorpholin-3-one?
The InChIKey is ZIXFTBRPGXDNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-6(9)8-3-4-11-5-7(8)10/h2-5H2,1H3.
What are the key properties of 4-propanoylmorpholin-3-one?
4-propanoylmorpholin-3-one has a molecular weight of 157.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoylmorpholin-3-one is sourced from PubChem (CID 163239451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).