3a,7a-dihydro-1H-indole-3-carboxamide

C9H10N2O — CID 19853083

IUPAC3a,7a-dihydro-1H-indole-3-carboxamide
SMILESNC(=O)C1=CNC2C=CC=CC12
InChIInChI=1S/C9H10N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-6,8,11H,(H2,10,12)
InChIKeyJWPZVXJQZBSGTB-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.07
Rot. Bonds1

About 3a,7a-dihydro-1H-indole-3-carboxamide

3a,7a-dihydro-1H-indole-3-carboxamide (PubChem CID 19853083) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound Name3a,7a-dihydro-1H-indole-3-carboxamide
PubChem CID19853083
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3a,7a-dihydro-1H-indole-3-carboxamide
SMILESNC(=O)C1=CNC2C=CC=CC12
InChIInChI=1S/C9H10N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-6,8,11H,(H2,10,12)
InChIKeyJWPZVXJQZBSGTB-UHFFFAOYSA-N
XLogP0.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-indole-3-carboxamide?
The IUPAC name of 3a,7a-dihydro-1H-indole-3-carboxamide (CID 19853083) is 3a,7a-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for 3a,7a-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for 3a,7a-dihydro-1H-indole-3-carboxamide is NC(=O)C1=CNC2C=CC=CC12.
What is the InChIKey of 3a,7a-dihydro-1H-indole-3-carboxamide?
The InChIKey is JWPZVXJQZBSGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-6,8,11H,(H2,10,12).
What are the key properties of 3a,7a-dihydro-1H-indole-3-carboxamide?
3a,7a-dihydro-1H-indole-3-carboxamide has a molecular weight of 162.19 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 19853083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).