7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid

C12H9NO4 — CID 115007558

IUPAC7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2oc3ccc(O)cc3c21
InChIInChI=1S/C12H9NO4/c1-13-8(12(15)16)5-10-11(13)7-4-6(14)2-3-9(7)17-10/h2-5,14H,1H3,(H,15,16)
InChIKeyCSNMMTGQRRFPNA-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.33
Rot. Bonds1

About 7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid

7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid (PubChem CID 115007558) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid
PubChem CID115007558
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2oc3ccc(O)cc3c21
InChIInChI=1S/C12H9NO4/c1-13-8(12(15)16)5-10-11(13)7-4-6(14)2-3-9(7)17-10/h2-5,14H,1H3,(H,15,16)
InChIKeyCSNMMTGQRRFPNA-UHFFFAOYSA-N
XLogP2.33
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-1-methyl-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid
CID 115007566
7-hydroxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
CID 115007765
actinium;8-methyldibenzofuran-2-ol
CID 18739071
5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 115007397
8-aminodibenzofuran-2-ol
CID 22664086
1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone
CID 143831160
5-hydroxy-2-methylindazole-3-carboxylic acid
CID 69302554
2,3,7-trihydroxyxanthen-9-one
CID 14528805
(5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
CID 800802
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
9-methyldibenzofuran-2-ol
CID 142343102
2,3-ditert-butyl-1-benzofuran-5-ol
CID 150431760

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid?
The IUPAC name of 7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid (CID 115007558) is 7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid is Cn1c(C(=O)O)cc2oc3ccc(O)cc3c21.
What is the InChIKey of 7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid?
The InChIKey is CSNMMTGQRRFPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c1-13-8(12(15)16)5-10-11(13)7-4-6(14)2-3-9(7)17-10/h2-5,14H,1H3,(H,15,16).
What are the key properties of 7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid?
7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 115007558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).