4-prop-2-enoylmorpholin-3-one

C7H9NO3 — CID 142240658

IUPAC4-prop-2-enoylmorpholin-3-one
SMILESC=CC(=O)N1CCOCC1=O
InChIInChI=1S/C7H9NO3/c1-2-6(9)8-3-4-11-5-7(8)10/h2H,1,3-5H2
InChIKeyKDAZZAISVJBIOL-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.44
Rot. Bonds1

About 4-prop-2-enoylmorpholin-3-one

4-prop-2-enoylmorpholin-3-one (PubChem CID 142240658) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-prop-2-enoylmorpholin-3-one.

Molecular Properties

Compound Name4-prop-2-enoylmorpholin-3-one
PubChem CID142240658
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4-prop-2-enoylmorpholin-3-one
SMILESC=CC(=O)N1CCOCC1=O
InChIInChI=1S/C7H9NO3/c1-2-6(9)8-3-4-11-5-7(8)10/h2H,1,3-5H2
InChIKeyKDAZZAISVJBIOL-UHFFFAOYSA-N
XLogP-0.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoylmorpholin-3-one?
The IUPAC name of 4-prop-2-enoylmorpholin-3-one (CID 142240658) is 4-prop-2-enoylmorpholin-3-one.
What is the SMILES notation for 4-prop-2-enoylmorpholin-3-one?
The canonical SMILES for 4-prop-2-enoylmorpholin-3-one is C=CC(=O)N1CCOCC1=O.
What is the InChIKey of 4-prop-2-enoylmorpholin-3-one?
The InChIKey is KDAZZAISVJBIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-6(9)8-3-4-11-5-7(8)10/h2H,1,3-5H2.
What are the key properties of 4-prop-2-enoylmorpholin-3-one?
4-prop-2-enoylmorpholin-3-one has a molecular weight of 155.15 g/mol, XLogP of -0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoylmorpholin-3-one is sourced from PubChem (CID 142240658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).