2,3,3a,4-tetrahydro-1H-indole-7-carboxamide

C9H12N2O — CID 70090963

IUPAC2,3,3a,4-tetrahydro-1H-indole-7-carboxamide
SMILESNC(=O)C1=C2NCCC2CC=C1
InChIInChI=1S/C9H12N2O/c10-9(12)7-3-1-2-6-4-5-11-8(6)7/h1,3,6,11H,2,4-5H2,(H2,10,12)
InChIKeyYTRZTHSLMJDTMO-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.30
Rot. Bonds1

About 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide

2,3,3a,4-tetrahydro-1H-indole-7-carboxamide (PubChem CID 70090963) 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-7-carboxamide.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-indole-7-carboxamide
PubChem CID70090963
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,3,3a,4-tetrahydro-1H-indole-7-carboxamide
SMILESNC(=O)C1=C2NCCC2CC=C1
InChIInChI=1S/C9H12N2O/c10-9(12)7-3-1-2-6-4-5-11-8(6)7/h1,3,6,11H,2,4-5H2,(H2,10,12)
InChIKeyYTRZTHSLMJDTMO-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide (CID 70090963) is 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide is NC(=O)C1=C2NCCC2CC=C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide?
The InChIKey is YTRZTHSLMJDTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-9(12)7-3-1-2-6-4-5-11-8(6)7/h1,3,6,11H,2,4-5H2,(H2,10,12).
What are the key properties of 2,3,3a,4-tetrahydro-1H-indole-7-carboxamide?
2,3,3a,4-tetrahydro-1H-indole-7-carboxamide has a molecular weight of 164.21 g/mol, XLogP of 0.30, 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-7-carboxamide is sourced from PubChem (CID 70090963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).