2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione

C13H14N2O2 — CID 818071

IUPAC2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(N3CCCC3)cc2C1=O
InChIInChI=1S/C13H14N2O2/c1-14-12(16)10-5-4-9(8-11(10)13(14)17)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyBUSNFAONONZYCM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.51
Rot. Bonds1

About 2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione

2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione (PubChem CID 818071) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione
PubChem CID818071
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(N3CCCC3)cc2C1=O
InChIInChI=1S/C13H14N2O2/c1-14-12(16)10-5-4-9(8-11(10)13(14)17)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyBUSNFAONONZYCM-UHFFFAOYSA-N
XLogP1.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
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 2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione?
The IUPAC name of 2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione (CID 818071) is 2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione is CN1C(=O)c2ccc(N3CCCC3)cc2C1=O.
What is the InChIKey of 2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione?
The InChIKey is BUSNFAONONZYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-14-12(16)10-5-4-9(8-11(10)13(14)17)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione?
2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione has a molecular weight of 230.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-1-ylisoindole-1,3-dione is sourced from PubChem (CID 818071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).