methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate

C11H10N2O4 — CID 122490038

IUPACmethyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(NC(N)=O)oc2ccccc12
InChIInChI=1S/C11H10N2O4/c1-16-10(14)8-6-4-2-3-5-7(6)17-9(8)13-11(12)15/h2-5H,1H3,(H3,12,13,15)
InChIKeyUXXYDEVWBOADOC-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.71
Rot. Bonds2

About methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate

methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate (PubChem CID 122490038) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate
PubChem CID122490038
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Namemethyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(NC(N)=O)oc2ccccc12
InChIInChI=1S/C11H10N2O4/c1-16-10(14)8-6-4-2-3-5-7(6)17-9(8)13-11(12)15/h2-5H,1H3,(H3,12,13,15)
InChIKeyUXXYDEVWBOADOC-UHFFFAOYSA-N
XLogP1.71
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl anthracene-9,10-dicarboxylate
CID 139057809
dimethyl dibenzofuran-1,2-dicarboxylate
CID 18366725
methyl 2-(acetamidomethyl)-1-benzofuran-3-carboxylate
CID 162368634
2-aminodibenzofuran-1-carboxylic acid;methyl 2-aminodibenzofuran-1-carboxylate
CID 158161401
methyl 2-hexyl-1-benzofuran-3-carboxylate
CID 102288995
2-(2-methylpropylamino)-1-benzofuran-3-carboxamide
CID 174950344
methyl dibenzofuran-2-carboxylate
CID 3702628
1-(3-hydroxy-1-benzofuran-2-yl)-3-methylurea
CID 91082728
methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate
CID 46873555
4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide
CID 132602656
dimethyl 9-hydroxy-6-oxo-7-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate
CID 54768421
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024

Frequently Asked Questions

What is the IUPAC name of methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate (CID 122490038) is methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate is COC(=O)c1c(NC(N)=O)oc2ccccc12.
What is the InChIKey of methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate?
The InChIKey is UXXYDEVWBOADOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-16-10(14)8-6-4-2-3-5-7(6)17-9(8)13-11(12)15/h2-5H,1H3,(H3,12,13,15).
What are the key properties of methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate?
methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate has a molecular weight of 234.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 122490038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).