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

C12H12N2O3 — CID 876013

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C12H12N2O3/c1-3-10(15)13-7-4-5-8-9(6-7)12(17)14(2)11(8)16/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyHSZLBNWGPPCQRU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.26
Rot. Bonds2

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

N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (PubChem CID 876013) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
PubChem CID876013
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C12H12N2O3/c1-3-10(15)13-7-4-5-8-9(6-7)12(17)14(2)11(8)16/h4-6H,3H2,1-2H3,(H,13,15)
InChIKeyHSZLBNWGPPCQRU-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (CID 876013) is N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The InChIKey is HSZLBNWGPPCQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-10(15)13-7-4-5-8-9(6-7)12(17)14(2)11(8)16/h4-6H,3H2,1-2H3,(H,13,15).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide has a molecular weight of 232.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is sourced from PubChem (CID 876013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).