4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid

C12H13NO4 — CID 116986659

IUPAC4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
SMILESCNc1c2c(c(C(=O)O)c3c1OCC3)OCC2
InChIInChI=1S/C12H13NO4/c1-13-9-7-3-5-16-10(7)8(12(14)15)6-2-4-17-11(6)9/h13H,2-5H2,1H3,(H,14,15)
InChIKeyHCFDTRUYLSRZQS-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.30
Rot. Bonds2

About 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid

4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid (PubChem CID 116986659) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid.

Molecular Properties

Compound Name4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
PubChem CID116986659
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
SMILESCNc1c2c(c(C(=O)O)c3c1OCC3)OCC2
InChIInChI=1S/C12H13NO4/c1-13-9-7-3-5-16-10(7)8(12(14)15)6-2-4-17-11(6)9/h13H,2-5H2,1H3,(H,14,15)
InChIKeyHCFDTRUYLSRZQS-UHFFFAOYSA-N
XLogP1.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid with MolForge

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Related Compounds

5-(methylamino)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-10-carboxylic acid
CID 116986778
8-cyano-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxylic acid
CID 116986661
2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
CID 117370347
methyl 4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylate
CID 116986374
1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 115010612
2-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetic acid
CID 117424996
2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile
CID 116986761
(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)-morpholin-4-ylmethanone
CID 118365630
7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83899521
methyl 5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-10-carboxylate
CID 116986453
ethyl 2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-oxoacetate
CID 117471886
N-(5,7-dibromo-2,3-dihydro-1-benzofuran-4-yl)acetamide;pentane
CID 144855943

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid?
The IUPAC name of 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid (CID 116986659) is 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid.
What is the SMILES notation for 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid?
The canonical SMILES for 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid is CNc1c2c(c(C(=O)O)c3c1OCC3)OCC2.
What is the InChIKey of 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid?
The InChIKey is HCFDTRUYLSRZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-13-9-7-3-5-16-10(7)8(12(14)15)6-2-4-17-11(6)9/h13H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid?
4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid is sourced from PubChem (CID 116986659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).