2-methyl-1,3-dihydroisoindole-5-carboxamide

C10H12N2O — CID 84613951

IUPAC2-methyl-1,3-dihydroisoindole-5-carboxamide
SMILESCN1Cc2ccc(C(N)=O)cc2C1
InChIInChI=1S/C10H12N2O/c1-12-5-8-3-2-7(10(11)13)4-9(8)6-12/h2-4H,5-6H2,1H3,(H2,11,13)
InChIKeySPRLUNSFMIAAFG-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.73
Rot. Bonds1

About 2-methyl-1,3-dihydroisoindole-5-carboxamide

2-methyl-1,3-dihydroisoindole-5-carboxamide (PubChem CID 84613951) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methyl-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1,3-dihydroisoindole-5-carboxamide
PubChem CID84613951
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-methyl-1,3-dihydroisoindole-5-carboxamide
SMILESCN1Cc2ccc(C(N)=O)cc2C1
InChIInChI=1S/C10H12N2O/c1-12-5-8-3-2-7(10(11)13)4-9(8)6-12/h2-4H,5-6H2,1H3,(H2,11,13)
InChIKeySPRLUNSFMIAAFG-UHFFFAOYSA-N
XLogP0.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of 2-methyl-1,3-dihydroisoindole-5-carboxamide (CID 84613951) is 2-methyl-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for 2-methyl-1,3-dihydroisoindole-5-carboxamide is CN1Cc2ccc(C(N)=O)cc2C1.
What is the InChIKey of 2-methyl-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is SPRLUNSFMIAAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-5-8-3-2-7(10(11)13)4-9(8)6-12/h2-4H,5-6H2,1H3,(H2,11,13).
What are the key properties of 2-methyl-1,3-dihydroisoindole-5-carboxamide?
2-methyl-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 176.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 84613951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).