2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide

C12H14N2O2 — CID 58181448

IUPAC2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)CNC2=O
InChIInChI=1S/C12H14N2O2/c1-7(2)11(15)14-9-3-4-10-8(5-9)6-13-12(10)16/h3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQIRGYOSZXDPGOT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.52
Rot. Bonds2

About 2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide

2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide (PubChem CID 58181448) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
PubChem CID58181448
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)CNC2=O
InChIInChI=1S/C12H14N2O2/c1-7(2)11(15)14-9-3-4-10-8(5-9)6-13-12(10)16/h3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQIRGYOSZXDPGOT-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide (CID 58181448) is 2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide is CC(C)C(=O)Nc1ccc2c(c1)CNC2=O.
What is the InChIKey of 2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide?
The InChIKey is QIRGYOSZXDPGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7(2)11(15)14-9-3-4-10-8(5-9)6-13-12(10)16/h3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide?
2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide has a molecular weight of 218.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide is sourced from PubChem (CID 58181448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).