2-methyl-3-oxo-1H-isoindole-4-carboxamide

C10H10N2O2 — CID 24937582

IUPAC2-methyl-3-oxo-1H-isoindole-4-carboxamide
SMILESCN1Cc2cccc(C(N)=O)c2C1=O
InChIInChI=1S/C10H10N2O2/c1-12-5-6-3-2-4-7(9(11)13)8(6)10(12)14/h2-4H,5H2,1H3,(H2,11,13)
InChIKeyQOVRDWMLHZBTCW-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.37
Rot. Bonds1

About 2-methyl-3-oxo-1H-isoindole-4-carboxamide

2-methyl-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 24937582) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-methyl-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-1H-isoindole-4-carboxamide
PubChem CID24937582
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-methyl-3-oxo-1H-isoindole-4-carboxamide
SMILESCN1Cc2cccc(C(N)=O)c2C1=O
InChIInChI=1S/C10H10N2O2/c1-12-5-6-3-2-4-7(9(11)13)8(6)10(12)14/h2-4H,5H2,1H3,(H2,11,13)
InChIKeyQOVRDWMLHZBTCW-UHFFFAOYSA-N
XLogP0.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-methyl-3-oxo-1H-isoindole-4-carboxamide (CID 24937582) is 2-methyl-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-1H-isoindole-4-carboxamide is CN1Cc2cccc(C(N)=O)c2C1=O.
What is the InChIKey of 2-methyl-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is QOVRDWMLHZBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-5-6-3-2-4-7(9(11)13)8(6)10(12)14/h2-4H,5H2,1H3,(H2,11,13).
What are the key properties of 2-methyl-3-oxo-1H-isoindole-4-carboxamide?
2-methyl-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 190.20 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24937582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).