2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide

C13H16N2O2 — CID 24937580

IUPAC2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCC(C)CN1Cc2cccc(C(N)=O)c2C1=O
InChIInChI=1S/C13H16N2O2/c1-8(2)6-15-7-9-4-3-5-10(12(14)16)11(9)13(15)17/h3-5,8H,6-7H2,1-2H3,(H2,14,16)
InChIKeyZDLOUHSDCHQCBB-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.40
Rot. Bonds3

About 2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide

2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 24937580) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID24937580
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCC(C)CN1Cc2cccc(C(N)=O)c2C1=O
InChIInChI=1S/C13H16N2O2/c1-8(2)6-15-7-9-4-3-5-10(12(14)16)11(9)13(15)17/h3-5,8H,6-7H2,1-2H3,(H2,14,16)
InChIKeyZDLOUHSDCHQCBB-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide (CID 24937580) is 2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide is CC(C)CN1Cc2cccc(C(N)=O)c2C1=O.
What is the InChIKey of 2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is ZDLOUHSDCHQCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)6-15-7-9-4-3-5-10(12(14)16)11(9)13(15)17/h3-5,8H,6-7H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide?
2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24937580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).