methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate

C12H13NO6 — CID 113330652

IUPACmethyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(=O)oc2)CCO1
InChIInChI=1S/C12H13NO6/c1-17-12(16)9-6-13(4-5-18-9)11(15)8-2-3-10(14)19-7-8/h2-3,7,9H,4-6H2,1H3
InChIKeyURKNTWVRAURSPB-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.35
Rot. Bonds2

About methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate

methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate (PubChem CID 113330652) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate
PubChem CID113330652
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Namemethyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(=O)oc2)CCO1
InChIInChI=1S/C12H13NO6/c1-17-12(16)9-6-13(4-5-18-9)11(15)8-2-3-10(14)19-7-8/h2-3,7,9H,4-6H2,1H3
InChIKeyURKNTWVRAURSPB-UHFFFAOYSA-N
XLogP-0.35
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate
CID 107075785
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate
CID 78926657
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
methyl 4-[3-(chloromethyl)benzoyl]morpholine-2-carboxylate
CID 115534248
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one
CID 919353
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
CID 115610744
5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
CID 94339974

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate (CID 113330652) is methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2ccc(=O)oc2)CCO1.
What is the InChIKey of methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate?
The InChIKey is URKNTWVRAURSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6/c1-17-12(16)9-6-13(4-5-18-9)11(15)8-2-3-10(14)19-7-8/h2-3,7,9H,4-6H2,1H3.
What are the key properties of methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate?
methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate has a molecular weight of 267.24 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 113330652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).