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

C13H15NO2 — CID 10512957

IUPAC2-[(2R)-pentan-2-yl]isoindole-1,3-dione
SMILESCCC[C@@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H15NO2/c1-3-6-9(2)14-12(15)10-7-4-5-8-11(10)13(14)16/h4-5,7-9H,3,6H2,1-2H3/t9-/m1/s1
InChIKeyMEVAQQNEPXNEFX-SECBINFHSA-N
MW217.27 g/mol
LogP2.47
Rot. Bonds3

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

2-[(2R)-pentan-2-yl]isoindole-1,3-dione (PubChem CID 10512957) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(2R)-pentan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-pentan-2-yl]isoindole-1,3-dione
PubChem CID10512957
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-[(2R)-pentan-2-yl]isoindole-1,3-dione
SMILESCCC[C@@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H15NO2/c1-3-6-9(2)14-12(15)10-7-4-5-8-11(10)13(14)16/h4-5,7-9H,3,6H2,1-2H3/t9-/m1/s1
InChIKeyMEVAQQNEPXNEFX-SECBINFHSA-N
XLogP2.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.47
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)-pentan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-pentan-2-yl]isoindole-1,3-dione (CID 10512957) is 2-[(2R)-pentan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-pentan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-pentan-2-yl]isoindole-1,3-dione is CCC[C@@H](C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-pentan-2-yl]isoindole-1,3-dione?
The InChIKey is MEVAQQNEPXNEFX-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-6-9(2)14-12(15)10-7-4-5-8-11(10)13(14)16/h4-5,7-9H,3,6H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(2R)-pentan-2-yl]isoindole-1,3-dione?
2-[(2R)-pentan-2-yl]isoindole-1,3-dione has a molecular weight of 217.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-pentan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 10512957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).