methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate

C14H19NO5 — CID 78926646

IUPACmethyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2c(C)oc(C)c2C)CCO1
InChIInChI=1S/C14H19NO5/c1-8-9(2)20-10(3)12(8)13(16)15-5-6-19-11(7-15)14(17)18-4/h11H,5-7H2,1-4H3
InChIKeyGUTSEQMBBIIEIS-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.22
Rot. Bonds2

About methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate

methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate (PubChem CID 78926646) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate
PubChem CID78926646
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2c(C)oc(C)c2C)CCO1
InChIInChI=1S/C14H19NO5/c1-8-9(2)20-10(3)12(8)13(16)15-5-6-19-11(7-15)14(17)18-4/h11H,5-7H2,1-4H3
InChIKeyGUTSEQMBBIIEIS-UHFFFAOYSA-N
XLogP1.22
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 129326893
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
CID 115610744
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 95269832
methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate
CID 113330652

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate (CID 78926646) is methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2c(C)oc(C)c2C)CCO1.
What is the InChIKey of methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate?
The InChIKey is GUTSEQMBBIIEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-8-9(2)20-10(3)12(8)13(16)15-5-6-19-11(7-15)14(17)18-4/h11H,5-7H2,1-4H3.
What are the key properties of methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate?
methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 78926646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).