3-oxo-1,2-dihydroisoindole-4-carboxamide

C9H8N2O2 — CID 44579957

IUPAC3-oxo-1,2-dihydroisoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)NC2
InChIInChI=1S/C9H8N2O2/c10-8(12)6-3-1-2-5-4-11-9(13)7(5)6/h1-3H,4H2,(H2,10,12)(H,11,13)
InChIKeyLTNBJPASIMOEQG-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.03
Rot. Bonds1

About 3-oxo-1,2-dihydroisoindole-4-carboxamide

3-oxo-1,2-dihydroisoindole-4-carboxamide (PubChem CID 44579957) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-oxo-1,2-dihydroisoindole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-1,2-dihydroisoindole-4-carboxamide
PubChem CID44579957
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name3-oxo-1,2-dihydroisoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)NC2
InChIInChI=1S/C9H8N2O2/c10-8(12)6-3-1-2-5-4-11-9(13)7(5)6/h1-3H,4H2,(H2,10,12)(H,11,13)
InChIKeyLTNBJPASIMOEQG-UHFFFAOYSA-N
XLogP0.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1,2-dihydroisoindole-4-carboxamide?
The IUPAC name of 3-oxo-1,2-dihydroisoindole-4-carboxamide (CID 44579957) is 3-oxo-1,2-dihydroisoindole-4-carboxamide.
What is the SMILES notation for 3-oxo-1,2-dihydroisoindole-4-carboxamide?
The canonical SMILES for 3-oxo-1,2-dihydroisoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)NC2.
What is the InChIKey of 3-oxo-1,2-dihydroisoindole-4-carboxamide?
The InChIKey is LTNBJPASIMOEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-8(12)6-3-1-2-5-4-11-9(13)7(5)6/h1-3H,4H2,(H2,10,12)(H,11,13).
What are the key properties of 3-oxo-1,2-dihydroisoindole-4-carboxamide?
3-oxo-1,2-dihydroisoindole-4-carboxamide has a molecular weight of 176.18 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1,2-dihydroisoindole-4-carboxamide is sourced from PubChem (CID 44579957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).