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

C13H12N2O3 — CID 959081

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide
SMILESCN1C(=O)c2ccc(NC(=O)C3CC3)cc2C1=O
InChIInChI=1S/C13H12N2O3/c1-15-12(17)9-5-4-8(6-10(9)13(15)18)14-11(16)7-2-3-7/h4-7H,2-3H2,1H3,(H,14,16)
InChIKeyRUQYYRNVRONBAE-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.26
Rot. Bonds2

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

N-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide (PubChem CID 959081) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide
PubChem CID959081
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide
SMILESCN1C(=O)c2ccc(NC(=O)C3CC3)cc2C1=O
InChIInChI=1S/C13H12N2O3/c1-15-12(17)9-5-4-8(6-10(9)13(15)18)14-11(16)7-2-3-7/h4-7H,2-3H2,1H3,(H,14,16)
InChIKeyRUQYYRNVRONBAE-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
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)cyclopropanecarboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide (CID 959081) is N-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide is CN1C(=O)c2ccc(NC(=O)C3CC3)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide?
The InChIKey is RUQYYRNVRONBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-15-12(17)9-5-4-8(6-10(9)13(15)18)14-11(16)7-2-3-7/h4-7H,2-3H2,1H3,(H,14,16).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboxamide has a molecular weight of 244.25 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)cyclopropanecarboxamide is sourced from PubChem (CID 959081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).