3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide

C11H11N3O — CID 68635954

IUPAC3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide
SMILESNC(=O)c1cc2c3c(ccc2[nH]1)NCC3
InChIInChI=1S/C11H11N3O/c12-11(15)10-5-7-6-3-4-13-8(6)1-2-9(7)14-10/h1-2,5,13-14H,3-4H2,(H2,12,15)
InChIKeyOKQJRGMTUGTURO-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.23
Rot. Bonds1

About 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide

3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide (PubChem CID 68635954) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide.

Molecular Properties

Compound Name3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide
PubChem CID68635954
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide
SMILESNC(=O)c1cc2c3c(ccc2[nH]1)NCC3
InChIInChI=1S/C11H11N3O/c12-11(15)10-5-7-6-3-4-13-8(6)1-2-9(7)14-10/h1-2,5,13-14H,3-4H2,(H2,12,15)
InChIKeyOKQJRGMTUGTURO-UHFFFAOYSA-N
XLogP1.23
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide?
The IUPAC name of 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide (CID 68635954) is 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide.
What is the SMILES notation for 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide?
The canonical SMILES for 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide is NC(=O)c1cc2c3c(ccc2[nH]1)NCC3.
What is the InChIKey of 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide?
The InChIKey is OKQJRGMTUGTURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11(15)10-5-7-6-3-4-13-8(6)1-2-9(7)14-10/h1-2,5,13-14H,3-4H2,(H2,12,15).
What are the key properties of 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide?
3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxamide is sourced from PubChem (CID 68635954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).