2-oxo-3a,4-dihydro-3H-indole-1-carboxamide

C9H10N2O2 — CID 70180272

IUPAC2-oxo-3a,4-dihydro-3H-indole-1-carboxamide
SMILESNC(=O)N1C(=O)CC2CC=CC=C21
InChIInChI=1S/C9H10N2O2/c10-9(13)11-7-4-2-1-3-6(7)5-8(11)12/h1-2,4,6H,3,5H2,(H2,10,13)
InChIKeyPZDUMTDZQBNPHV-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.76
Rot. Bonds

About 2-oxo-3a,4-dihydro-3H-indole-1-carboxamide

2-oxo-3a,4-dihydro-3H-indole-1-carboxamide (PubChem CID 70180272) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-oxo-3a,4-dihydro-3H-indole-1-carboxamide.

Molecular Properties

Compound Name2-oxo-3a,4-dihydro-3H-indole-1-carboxamide
PubChem CID70180272
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-oxo-3a,4-dihydro-3H-indole-1-carboxamide
SMILESNC(=O)N1C(=O)CC2CC=CC=C21
InChIInChI=1S/C9H10N2O2/c10-9(13)11-7-4-2-1-3-6(7)5-8(11)12/h1-2,4,6H,3,5H2,(H2,10,13)
InChIKeyPZDUMTDZQBNPHV-UHFFFAOYSA-N
XLogP0.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3a,4-dihydro-3H-indole-1-carboxamide?
The IUPAC name of 2-oxo-3a,4-dihydro-3H-indole-1-carboxamide (CID 70180272) is 2-oxo-3a,4-dihydro-3H-indole-1-carboxamide.
What is the SMILES notation for 2-oxo-3a,4-dihydro-3H-indole-1-carboxamide?
The canonical SMILES for 2-oxo-3a,4-dihydro-3H-indole-1-carboxamide is NC(=O)N1C(=O)CC2CC=CC=C21.
What is the InChIKey of 2-oxo-3a,4-dihydro-3H-indole-1-carboxamide?
The InChIKey is PZDUMTDZQBNPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(13)11-7-4-2-1-3-6(7)5-8(11)12/h1-2,4,6H,3,5H2,(H2,10,13).
What are the key properties of 2-oxo-3a,4-dihydro-3H-indole-1-carboxamide?
2-oxo-3a,4-dihydro-3H-indole-1-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3a,4-dihydro-3H-indole-1-carboxamide is sourced from PubChem (CID 70180272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).