4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid

C16H15NO3 — CID 15259306

IUPAC4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1oc2cc(C(=O)O)n(Cc3ccccc3)c2c1C
InChIInChI=1S/C16H15NO3/c1-10-11(2)20-14-8-13(16(18)19)17(15(10)14)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyPXVSWYXKBNEYFD-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.60
Rot. Bonds3

About 4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid

4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 15259306) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid
PubChem CID15259306
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1oc2cc(C(=O)O)n(Cc3ccccc3)c2c1C
InChIInChI=1S/C16H15NO3/c1-10-11(2)20-14-8-13(16(18)19)17(15(10)14)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyPXVSWYXKBNEYFD-UHFFFAOYSA-N
XLogP3.60
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5,7-dimethylindole-2-carboxylic acid
CID 83968494
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 122176392
3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one
CID 91929886
6-benzylfuro[2,3-b]pyrrole-5-carboxylic acid
CID 23825260
5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene-4-carboxylic acid
CID 118159471
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461
1-[(5-methyl-3-pyridinyl)methyl]indole-2-carboxylic acid
CID 102881657
1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid
CID 83968451
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
1-(pyridin-1-ium-3-ylmethyl)indole-2-carboxylic acid chloride
CID 110193090
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 42791174
dimethyl 1-benzyl-5-methylpyrrole-2,4-dicarboxylate
CID 11818528

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid (CID 15259306) is 4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid is Cc1oc2cc(C(=O)O)n(Cc3ccccc3)c2c1C.
What is the InChIKey of 4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is PXVSWYXKBNEYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-11(2)20-14-8-13(16(18)19)17(15(10)14)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid?
4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,3-dimethylfuro[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 15259306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).