2H-indeno[1,2-b]pyrrole-1-carboxylic acid

C12H9NO2 — CID 154206140

IUPAC2H-indeno[1,2-b]pyrrole-1-carboxylic acid
SMILESO=C(O)N1CC=C2C=c3ccccc3=C21
InChIInChI=1S/C12H9NO2/c14-12(15)13-6-5-9-7-8-3-1-2-4-10(8)11(9)13/h1-5,7H,6H2,(H,14,15)
InChIKeyDNZKINUXJOZBML-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.51
Rot. Bonds

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

2H-indeno[1,2-b]pyrrole-1-carboxylic acid (PubChem CID 154206140) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2H-indeno[1,2-b]pyrrole-1-carboxylic acid.

Molecular Properties

Compound Name2H-indeno[1,2-b]pyrrole-1-carboxylic acid
PubChem CID154206140
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2H-indeno[1,2-b]pyrrole-1-carboxylic acid
SMILESO=C(O)N1CC=C2C=c3ccccc3=C21
InChIInChI=1S/C12H9NO2/c14-12(15)13-6-5-9-7-8-3-1-2-4-10(8)11(9)13/h1-5,7H,6H2,(H,14,15)
InChIKeyDNZKINUXJOZBML-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5,6-Tetrahydroindole-1-carboxylic acid
CID 20501559
1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 67281200
4-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 140125861
1,3,4,5-Tetrahydroisoindole-2-carboxylic acid
CID 142685749
2H-cyclopenta[b]pyrrole-1-carboxylic acid
CID 153896634
3aH-indeno[1,2-b]pyrrole-1-carboxylic acid
CID 154153484
2H-cyclohepta[b]pyrrole-1-carboxylic acid
CID 154255312
Cyclopenta[g]quinoline-1-carboxylic acid
CID 157335763
2,5-Diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid
CID 162211320
2,3,4,5-Tetrahydroindole-1-carboxylic acid
CID 175265306

Frequently Asked Questions

What is the IUPAC name of 2H-indeno[1,2-b]pyrrole-1-carboxylic acid?
The IUPAC name of 2H-indeno[1,2-b]pyrrole-1-carboxylic acid (CID 154206140) is 2H-indeno[1,2-b]pyrrole-1-carboxylic acid.
What is the SMILES notation for 2H-indeno[1,2-b]pyrrole-1-carboxylic acid?
The canonical SMILES for 2H-indeno[1,2-b]pyrrole-1-carboxylic acid is O=C(O)N1CC=C2C=c3ccccc3=C21.
What is the InChIKey of 2H-indeno[1,2-b]pyrrole-1-carboxylic acid?
The InChIKey is DNZKINUXJOZBML-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/h1-5,7H,6H2,(H,14,15).
What are the key properties of 2H-indeno[1,2-b]pyrrole-1-carboxylic acid?
2H-indeno[1,2-b]pyrrole-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-indeno[1,2-b]pyrrole-1-carboxylic acid is sourced from PubChem (CID 154206140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).