3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid

C11H10N2O2 — CID 175852377

IUPAC3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid
SMILESO=C(O)N1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C11H10N2O2/c14-11(15)13-5-8-7-3-1-2-4-9(7)12-10(8)6-13/h1-4,12H,5-6H2,(H,14,15)
InChIKeyKFLTXJSLPCHQFX-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.16
Rot. Bonds

About 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid

3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid (PubChem CID 175852377) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid
PubChem CID175852377
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid
SMILESO=C(O)N1Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C11H10N2O2/c14-11(15)13-5-8-7-3-1-2-4-9(7)12-10(8)6-13/h1-4,12H,5-6H2,(H,14,15)
InChIKeyKFLTXJSLPCHQFX-UHFFFAOYSA-N
XLogP2.16
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 3962553
N-phenyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole-2-carboxamide
CID 23113540
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
4,4-dideuterio-3,9-dihydro-1H-pyrido[3,4-b]indole-2,3-dicarboxylic acid
CID 175928782
N-(diaminomethylidene)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 59626459
2-[2-oxo-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]benzoic acid
CID 71753330
morpholin-4-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 34675984
morpholin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110874353
3-phenoxy-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 110867183
11-(2-hydroxyphenyl)-4,7,9,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-4-carboxylic acid
CID 175463999
2-hydroxyethyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 79346688

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid?
The IUPAC name of 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid (CID 175852377) is 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid.
What is the SMILES notation for 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid?
The canonical SMILES for 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid is O=C(O)N1Cc2[nH]c3ccccc3c2C1.
What is the InChIKey of 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid?
The InChIKey is KFLTXJSLPCHQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(15)13-5-8-7-3-1-2-4-9(7)12-10(8)6-13/h1-4,12H,5-6H2,(H,14,15).
What are the key properties of 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid?
3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrrolo[3,4-b]indole-2-carboxylic acid is sourced from PubChem (CID 175852377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).