3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate

C10H15NO5 — CID 104774851

IUPAC3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
SMILESC=CCOC(=O)N1CCOCC1C(=O)OC
InChIInChI=1S/C10H15NO5/c1-3-5-16-10(13)11-4-6-15-7-8(11)9(12)14-2/h3,8H,1,4-7H2,2H3
InChIKeyZRZKZXHSLAPWHD-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.18
Rot. Bonds3

About 3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate

3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate (PubChem CID 104774851) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
PubChem CID104774851
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
SMILESC=CCOC(=O)N1CCOCC1C(=O)OC
InChIInChI=1S/C10H15NO5/c1-3-5-16-10(13)11-4-6-15-7-8(11)9(12)14-2/h3,8H,1,4-7H2,2H3
InChIKeyZRZKZXHSLAPWHD-UHFFFAOYSA-N
XLogP0.18
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
CID 118540303
prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate
CID 19915005
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
2-O-methyl 1-O-prop-2-enyl 4-acetylsulfanylpyrrolidine-1,2-dicarboxylate
CID 19906189
methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
CID 103837995
3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 104774518
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
CID 113247602

Frequently Asked Questions

What is the IUPAC name of 3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate?
The IUPAC name of 3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate (CID 104774851) is 3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate.
What is the SMILES notation for 3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate?
The canonical SMILES for 3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate is C=CCOC(=O)N1CCOCC1C(=O)OC.
What is the InChIKey of 3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate?
The InChIKey is ZRZKZXHSLAPWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-5-16-10(13)11-4-6-15-7-8(11)9(12)14-2/h3,8H,1,4-7H2,2H3.
What are the key properties of 3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate?
3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate has a molecular weight of 229.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate is sourced from PubChem (CID 104774851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).