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

C15H17N3O2 — CID 63174368

IUPACN'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide
SMILESCN1C(=O)c2ccc(/N=C(\N)C3CCCC3)cc2C1=O
InChIInChI=1S/C15H17N3O2/c1-18-14(19)11-7-6-10(8-12(11)15(18)20)17-13(16)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,16,17)
InChIKeySLDTZVKMSYKXMX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.09
Rot. Bonds2

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

N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide (PubChem CID 63174368) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide
PubChem CID63174368
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide
SMILESCN1C(=O)c2ccc(/N=C(\N)C3CCCC3)cc2C1=O
InChIInChI=1S/C15H17N3O2/c1-18-14(19)11-7-6-10(8-12(11)15(18)20)17-13(16)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,16,17)
InChIKeySLDTZVKMSYKXMX-UHFFFAOYSA-N
XLogP2.09
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide?
The IUPAC name of N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide (CID 63174368) is N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide is CN1C(=O)c2ccc(/N=C(\N)C3CCCC3)cc2C1=O.
What is the InChIKey of N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide?
The InChIKey is SLDTZVKMSYKXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-14(19)11-7-6-10(8-12(11)15(18)20)17-13(16)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,16,17).
What are the key properties of N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide?
N'-(2-methyl-1,3-dioxoisoindol-5-yl)cyclopentanecarboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.09, 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)cyclopentanecarboximidamide is sourced from PubChem (CID 63174368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).