3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid

C11H8N2O2 — CID 54427614

IUPAC3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(ccc3[nH]ccc32)[nH]1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-5-7-6-3-4-12-8(6)1-2-9(7)13-10/h1-5,12-13H,(H,14,15)
InChIKeyWFFURKDWQREOMA-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.35
Rot. Bonds1

About 3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid

3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid (PubChem CID 54427614) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid.

Molecular Properties

Compound Name3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid
PubChem CID54427614
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(ccc3[nH]ccc32)[nH]1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-5-7-6-3-4-12-8(6)1-2-9(7)13-10/h1-5,12-13H,(H,14,15)
InChIKeyWFFURKDWQREOMA-UHFFFAOYSA-N
XLogP2.35
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid?
The IUPAC name of 3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid (CID 54427614) is 3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid.
What is the SMILES notation for 3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid?
The canonical SMILES for 3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid is O=C(O)c1cc2c(ccc3[nH]ccc32)[nH]1.
What is the InChIKey of 3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid?
The InChIKey is WFFURKDWQREOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-11(15)10-5-7-6-3-4-12-8(6)1-2-9(7)13-10/h1-5,12-13H,(H,14,15).
What are the key properties of 3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid?
3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid has a molecular weight of 200.20 g/mol, XLogP of 2.35, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid is sourced from PubChem (CID 54427614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).