1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid

C11H10N2O2 — CID 12936177

IUPAC1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc3c(cc2[nH]1)CCN3
InChIInChI=1S/C11H10N2O2/c14-11(15)10-5-7-4-8-6(1-2-12-8)3-9(7)13-10/h3-5,12-13H,1-2H2,(H,14,15)
InChIKeyHSNFWIRUNUHFQW-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.83
Rot. Bonds1

About 1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid

1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid (PubChem CID 12936177) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid.

Molecular Properties

Compound Name1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid
PubChem CID12936177
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc3c(cc2[nH]1)CCN3
InChIInChI=1S/C11H10N2O2/c14-11(15)10-5-7-4-8-6(1-2-12-8)3-9(7)13-10/h3-5,12-13H,1-2H2,(H,14,15)
InChIKeyHSNFWIRUNUHFQW-UHFFFAOYSA-N
XLogP1.83
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid?
The IUPAC name of 1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid (CID 12936177) is 1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid.
What is the SMILES notation for 1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid?
The canonical SMILES for 1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid is O=C(O)c1cc2cc3c(cc2[nH]1)CCN3.
What is the InChIKey of 1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid?
The InChIKey is HSNFWIRUNUHFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(15)10-5-7-4-8-6(1-2-12-8)3-9(7)13-10/h3-5,12-13H,1-2H2,(H,14,15).
What are the key properties of 1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid?
1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid is sourced from PubChem (CID 12936177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).