7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid

C11H8N2O3 — CID 115007759

IUPAC7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)[nH]c1ccc(O)cc12
InChIInChI=1S/C11H8N2O3/c14-5-1-2-8-6(3-5)7-4-9(11(15)16)13-10(7)12-8/h1-4,12-14H,(H,15,16)
InChIKeyHHEDQVDSHSDDHM-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.05
Rot. Bonds1

About 7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid

7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid (PubChem CID 115007759) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid
PubChem CID115007759
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)[nH]c1ccc(O)cc12
InChIInChI=1S/C11H8N2O3/c14-5-1-2-8-6(3-5)7-4-9(11(15)16)13-10(7)12-8/h1-4,12-14H,(H,15,16)
InChIKeyHHEDQVDSHSDDHM-UHFFFAOYSA-N
XLogP2.05
TPSA89.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid?
The IUPAC name of 7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid (CID 115007759) is 7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid.
What is the SMILES notation for 7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid?
The canonical SMILES for 7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid is O=C(O)c1cc2c([nH]1)[nH]c1ccc(O)cc12.
What is the InChIKey of 7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid?
The InChIKey is HHEDQVDSHSDDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-5-1-2-8-6(3-5)7-4-9(11(15)16)13-10(7)12-8/h1-4,12-14H,(H,15,16).
What are the key properties of 7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid?
7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 2.05, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid is sourced from PubChem (CID 115007759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).