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

C13H13N3O2 — CID 63174314

IUPACN'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide
SMILESCN1C(=O)c2ccc(/N=C(\N)C3CC3)cc2C1=O
InChIInChI=1S/C13H13N3O2/c1-16-12(17)9-5-4-8(6-10(9)13(16)18)15-11(14)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15)
InChIKeyWAXSLPIXZZFCIN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.31
Rot. Bonds2

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

N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide (PubChem CID 63174314) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide
PubChem CID63174314
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide
SMILESCN1C(=O)c2ccc(/N=C(\N)C3CC3)cc2C1=O
InChIInChI=1S/C13H13N3O2/c1-16-12(17)9-5-4-8(6-10(9)13(16)18)15-11(14)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15)
InChIKeyWAXSLPIXZZFCIN-UHFFFAOYSA-N
XLogP1.31
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide
CID 63174368
2-chloro-N'-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)ethanimidamide
CID 169368426
N'-(4-phenylphenyl)cyclopropanecarboximidamide
CID 55160926
4-chloro-N'-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide;1-ethylpyrrolidine
CID 143865733
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide
CID 63178907
2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione
CID 139469799
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
N'-(4-bromo-3,5-dimethylphenyl)cyclopropanecarboximidamide
CID 107579379
bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten
CID 164728278
1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 45427138
4-(2-methyl-1,3-dioxoisoindol-5-yl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 68542252

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide?
The IUPAC name of N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide (CID 63174314) is N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide is CN1C(=O)c2ccc(/N=C(\N)C3CC3)cc2C1=O.
What is the InChIKey of N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide?
The InChIKey is WAXSLPIXZZFCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-12(17)9-5-4-8(6-10(9)13(16)18)15-11(14)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15).
What are the key properties of N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide?
N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopropanecarboximidamide has a molecular weight of 243.27 g/mol, XLogP of 1.31, 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)cyclopropanecarboximidamide is sourced from PubChem (CID 63174314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).