2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

C9H9NO3 — CID 15933663

IUPAC2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1oc2cc(C(=O)O)[nH]c2c1C
InChIInChI=1S/C9H9NO3/c1-4-5(2)13-7-3-6(9(11)12)10-8(4)7/h3,10H,1-2H3,(H,11,12)
InChIKeyGLXWNFBYRBJQAP-UHFFFAOYSA-N
MW179.17 g/mol
LogP2.08
Rot. Bonds1

About 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 15933663) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID15933663
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1oc2cc(C(=O)O)[nH]c2c1C
InChIInChI=1S/C9H9NO3/c1-4-5(2)13-7-3-6(9(11)12)10-8(4)7/h3,10H,1-2H3,(H,11,12)
InChIKeyGLXWNFBYRBJQAP-UHFFFAOYSA-N
XLogP2.08
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 15933663) is 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is Cc1oc2cc(C(=O)O)[nH]c2c1C.
What is the InChIKey of 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is GLXWNFBYRBJQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-4-5(2)13-7-3-6(9(11)12)10-8(4)7/h3,10H,1-2H3,(H,11,12).
What are the key properties of 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 15933663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).