2,3,3a,4-tetrahydro-1H-indole-3-carboxamide

C9H12N2O — CID 70094134

IUPAC2,3,3a,4-tetrahydro-1H-indole-3-carboxamide
SMILESNC(=O)C1CNC2=CC=CCC21
InChIInChI=1S/C9H12N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-2,4,6-7,11H,3,5H2,(H2,10,12)
InChIKeyXCKPUFSDEYHSKM-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.15
Rot. Bonds1

About 2,3,3a,4-tetrahydro-1H-indole-3-carboxamide

2,3,3a,4-tetrahydro-1H-indole-3-carboxamide (PubChem CID 70094134) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-indole-3-carboxamide
PubChem CID70094134
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,3,3a,4-tetrahydro-1H-indole-3-carboxamide
SMILESNC(=O)C1CNC2=CC=CCC21
InChIInChI=1S/C9H12N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-2,4,6-7,11H,3,5H2,(H2,10,12)
InChIKeyXCKPUFSDEYHSKM-UHFFFAOYSA-N
XLogP0.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S,4S)-3-(1-aminoethenyl)-4-[(3Z)-5-fluoro-4,5-dimethylhexa-1,3-dien-3-yl]pyrrolidin-2-one
CID 162729095
(3S,4S)-3-(1-aminoethenyl)-4-[(E)-5-fluoro-5-methyl-4-methylidenehex-2-en-2-yl]pyrrolidin-2-one
CID 162729097
Tetrahydroindeno[1,2-b]pyrrole-3-carboxamide
CID 139207821
2,4a,5,5a,9a,9b-Hexahydropyrido[4,3-b]indol-1-one
CID 18957745
2-(2,3,3a,5a-tetrahydro-1H-benzo[g]indol-3-yl)-2-oxoacetamide
CID 22268695
1,2,3,5-Tetrahydroindolizine-2-carboxamide
CID 68448951
spiro[1,2-dihydropyridine-3,3'-3a,4-dihydro-1H-indole]-2',6-dione
CID 68786443
1,2,3,4,4a,5-Hexahydroquinoline-4-carboxamide
CID 68903639
3,10-Diazatricyclo[6.4.1.04,13]trideca-4,6,11-trien-9-one
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CID 70068515

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-indole-3-carboxamide?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-indole-3-carboxamide (CID 70094134) is 2,3,3a,4-tetrahydro-1H-indole-3-carboxamide.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-indole-3-carboxamide?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-indole-3-carboxamide is NC(=O)C1CNC2=CC=CCC21.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-indole-3-carboxamide?
The InChIKey is XCKPUFSDEYHSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-2,4,6-7,11H,3,5H2,(H2,10,12).
What are the key properties of 2,3,3a,4-tetrahydro-1H-indole-3-carboxamide?
2,3,3a,4-tetrahydro-1H-indole-3-carboxamide has a molecular weight of 164.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-indole-3-carboxamide is sourced from PubChem (CID 70094134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).