3aH-indeno[1,2-b]pyrrole-1-carboxylic acid

C12H9NO2 — CID 154153484

IUPAC3aH-indeno[1,2-b]pyrrole-1-carboxylic acid
SMILESO=C(O)N1C=CC2C=c3ccccc3=C21
InChIInChI=1S/C12H9NO2/c14-12(15)13-6-5-9-7-8-3-1-2-4-10(8)11(9)13/h1-7,9H,(H,14,15)
InChIKeyRMGIHZOZBIUGMS-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.71
Rot. Bonds

About 3aH-indeno[1,2-b]pyrrole-1-carboxylic acid

3aH-indeno[1,2-b]pyrrole-1-carboxylic acid (PubChem CID 154153484) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3aH-indeno[1,2-b]pyrrole-1-carboxylic acid.

Molecular Properties

Compound Name3aH-indeno[1,2-b]pyrrole-1-carboxylic acid
PubChem CID154153484
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name3aH-indeno[1,2-b]pyrrole-1-carboxylic acid
SMILESO=C(O)N1C=CC2C=c3ccccc3=C21
InChIInChI=1S/C12H9NO2/c14-12(15)13-6-5-9-7-8-3-1-2-4-10(8)11(9)13/h1-7,9H,(H,14,15)
InChIKeyRMGIHZOZBIUGMS-UHFFFAOYSA-N
XLogP0.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl 5,6-dihydroindole-1-carboxylate
CID 129208479
1-Tert-butyl-2-benzazepine-2-carboxylic acid
CID 151952000
2H-cyclopenta[b]pyrrole-1-carboxylic acid
CID 153896634
2H-indeno[1,2-b]pyrrole-1-carboxylic acid
CID 154206140
Cyclopenta[g]quinoline-1-carboxylic acid
CID 157335763
5H-quinoline-1-carboxylic acid
CID 136735918

Frequently Asked Questions

What is the IUPAC name of 3aH-indeno[1,2-b]pyrrole-1-carboxylic acid?
The IUPAC name of 3aH-indeno[1,2-b]pyrrole-1-carboxylic acid (CID 154153484) is 3aH-indeno[1,2-b]pyrrole-1-carboxylic acid.
What is the SMILES notation for 3aH-indeno[1,2-b]pyrrole-1-carboxylic acid?
The canonical SMILES for 3aH-indeno[1,2-b]pyrrole-1-carboxylic acid is O=C(O)N1C=CC2C=c3ccccc3=C21.
What is the InChIKey of 3aH-indeno[1,2-b]pyrrole-1-carboxylic acid?
The InChIKey is RMGIHZOZBIUGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(15)13-6-5-9-7-8-3-1-2-4-10(8)11(9)13/h1-7,9H,(H,14,15).
What are the key properties of 3aH-indeno[1,2-b]pyrrole-1-carboxylic acid?
3aH-indeno[1,2-b]pyrrole-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3aH-indeno[1,2-b]pyrrole-1-carboxylic acid is sourced from PubChem (CID 154153484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).