methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

C15H15NO5 — CID 2943279

IUPACmethyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
SMILESCOC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2
InChIInChI=1S/C15H15NO5/c1-19-14(18)11-10-4-5-15(21-10)8-16(13(17)12(11)15)7-9-3-2-6-20-9/h2-6,10-12H,7-8H2,1H3
InChIKeyNSUAJMBIBIXWTK-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.73
Rot. Bonds3

About methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate (PubChem CID 2943279) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
PubChem CID2943279
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namemethyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
SMILESCOC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2
InChIInChI=1S/C15H15NO5/c1-19-14(18)11-10-4-5-15(21-10)8-16(13(17)12(11)15)7-9-3-2-6-20-9/h2-6,10-12H,7-8H2,1H3
InChIKeyNSUAJMBIBIXWTK-UHFFFAOYSA-N
XLogP0.73
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[(Furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2777280
2-(Furan-2-ylmethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
CID 2772034
6-(2-Furyl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.0~1,9~.0~2,7~]tetradec-12-ene-10-carboxylic acid
CID 2941740
N-(2-furylmethyl)-2-(4-methylbenzyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
CID 3243023
(3aS,6R,7aR)-propyl 2-(furan-2-ylmethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
CID 5389998
Ethyl 2-(furan-2-ylmethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
CID 645136
6-(2-Furyl)-3-methyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.0~1,9~.0~2,7~]tetradec-12-ene-10-carboxylic acid
CID 2943524
Methyl 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylate
CID 3466312
(3aR,4R,7S,7aS)-2-(furan-2-ylmethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 714866
2-benzyl-N-(2-furylmethyl)-6-methyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
CID 3235888
1-[(2R,3aR,6aR)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine
CID 97415686
[(2R,3aR,6aR)-2-[(dimethylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 97513119

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?
The IUPAC name of methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate (CID 2943279) is methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
What is the SMILES notation for methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?
The canonical SMILES for methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate is COC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2.
What is the InChIKey of methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?
The InChIKey is NSUAJMBIBIXWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-14(18)11-10-4-5-15(21-10)8-16(13(17)12(11)15)7-9-3-2-6-20-9/h2-6,10-12H,7-8H2,1H3.
What are the key properties of methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?
methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-ylmethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate is sourced from PubChem (CID 2943279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).