2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione

C15H19NO2 — CID 134419364

IUPAC2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione
SMILESCCC(C)(C)[C@@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19NO2/c1-5-15(3,4)10(2)16-13(17)11-8-6-7-9-12(11)14(16)18/h6-10H,5H2,1-4H3/t10-/m1/s1
InChIKeyFCPJDAAHELBAPT-SNVBAGLBSA-N
MW245.32 g/mol
LogP3.11
Rot. Bonds3

About 2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione

2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione (PubChem CID 134419364) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione
PubChem CID134419364
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione
SMILESCCC(C)(C)[C@@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19NO2/c1-5-15(3,4)10(2)16-13(17)11-8-6-7-9-12(11)14(16)18/h6-10H,5H2,1-4H3/t10-/m1/s1
InChIKeyFCPJDAAHELBAPT-SNVBAGLBSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione (CID 134419364) is 2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione is CCC(C)(C)[C@@H](C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione?
The InChIKey is FCPJDAAHELBAPT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-15(3,4)10(2)16-13(17)11-8-6-7-9-12(11)14(16)18/h6-10H,5H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione?
2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione has a molecular weight of 245.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 134419364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).