5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione

C15H18N2O2 — CID 64922814

IUPAC5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione
SMILESCC1CCC(N2C(=O)c3ccc(N)cc3C2=O)C1C
InChIInChI=1S/C15H18N2O2/c1-8-3-6-13(9(8)2)17-14(18)11-5-4-10(16)7-12(11)15(17)19/h4-5,7-9,13H,3,6,16H2,1-2H3
InChIKeyCTDNXVXEGFWWRK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.30
Rot. Bonds1

About 5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione

5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione (PubChem CID 64922814) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione
PubChem CID64922814
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione
SMILESCC1CCC(N2C(=O)c3ccc(N)cc3C2=O)C1C
InChIInChI=1S/C15H18N2O2/c1-8-3-6-13(9(8)2)17-14(18)11-5-4-10(16)7-12(11)15(17)19/h4-5,7-9,13H,3,6,16H2,1-2H3
InChIKeyCTDNXVXEGFWWRK-UHFFFAOYSA-N
XLogP2.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione (CID 64922814) is 5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione is CC1CCC(N2C(=O)c3ccc(N)cc3C2=O)C1C.
What is the InChIKey of 5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione?
The InChIKey is CTDNXVXEGFWWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-8-3-6-13(9(8)2)17-14(18)11-5-4-10(16)7-12(11)15(17)19/h4-5,7-9,13H,3,6,16H2,1-2H3.
What are the key properties of 5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione?
5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione has a molecular weight of 258.32 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3-dimethylcyclopentyl)isoindole-1,3-dione is sourced from PubChem (CID 64922814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).