methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

C12H17NO5 — CID 10515162

IUPACmethyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OC)=C(C(=O)N(C)OC)O1
InChIInChI=1S/C12H17NO5/c1-7(2)9-6-8(12(15)16-4)10(18-9)11(14)13(3)17-5/h9H,1,6H2,2-5H3
InChIKeyJYHYJBPKXDKTRS-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.80
Rot. Bonds4

About methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (PubChem CID 10515162) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
PubChem CID10515162
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namemethyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OC)=C(C(=O)N(C)OC)O1
InChIInChI=1S/C12H17NO5/c1-7(2)9-6-8(12(15)16-4)10(18-9)11(14)13(3)17-5/h9H,1,6H2,2-5H3
InChIKeyJYHYJBPKXDKTRS-UHFFFAOYSA-N
XLogP0.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (CID 10515162) is methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is C=C(C)C1CC(C(=O)OC)=C(C(=O)N(C)OC)O1.
What is the InChIKey of methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is JYHYJBPKXDKTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-7(2)9-6-8(12(15)16-4)10(18-9)11(14)13(3)17-5/h9H,1,6H2,2-5H3.
What are the key properties of methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 10515162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).