4-acetyl-6-methylidenemorpholin-2-one

C7H9NO3 — CID 134989702

IUPAC4-acetyl-6-methylidenemorpholin-2-one
SMILESC=C1CN(C(C)=O)CC(=O)O1
InChIInChI=1S/C7H9NO3/c1-5-3-8(6(2)9)4-7(10)11-5/h1,3-4H2,2H3
InChIKeyLOJTZYLKVCNEPS-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.09
Rot. Bonds

About 4-acetyl-6-methylidenemorpholin-2-one

4-acetyl-6-methylidenemorpholin-2-one (PubChem CID 134989702) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-acetyl-6-methylidenemorpholin-2-one.

Molecular Properties

Compound Name4-acetyl-6-methylidenemorpholin-2-one
PubChem CID134989702
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4-acetyl-6-methylidenemorpholin-2-one
SMILESC=C1CN(C(C)=O)CC(=O)O1
InChIInChI=1S/C7H9NO3/c1-5-3-8(6(2)9)4-7(10)11-5/h1,3-4H2,2H3
InChIKeyLOJTZYLKVCNEPS-UHFFFAOYSA-N
XLogP-0.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-methylidenemorpholin-2-one?
The IUPAC name of 4-acetyl-6-methylidenemorpholin-2-one (CID 134989702) is 4-acetyl-6-methylidenemorpholin-2-one.
What is the SMILES notation for 4-acetyl-6-methylidenemorpholin-2-one?
The canonical SMILES for 4-acetyl-6-methylidenemorpholin-2-one is C=C1CN(C(C)=O)CC(=O)O1.
What is the InChIKey of 4-acetyl-6-methylidenemorpholin-2-one?
The InChIKey is LOJTZYLKVCNEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5-3-8(6(2)9)4-7(10)11-5/h1,3-4H2,2H3.
What are the key properties of 4-acetyl-6-methylidenemorpholin-2-one?
4-acetyl-6-methylidenemorpholin-2-one has a molecular weight of 155.15 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-methylidenemorpholin-2-one is sourced from PubChem (CID 134989702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).