2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione

C12H15NO2 — CID 70337301

IUPAC2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione
SMILESCC(C)CN1C(=O)C2C=CC=CC2C1=O
InChIInChI=1S/C12H15NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h3-6,8-10H,7H2,1-2H3
InChIKeyRKMWNSNWYGTHLQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.37
Rot. Bonds2

About 2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione

2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione (PubChem CID 70337301) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione
PubChem CID70337301
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione
SMILESCC(C)CN1C(=O)C2C=CC=CC2C1=O
InChIInChI=1S/C12H15NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h3-6,8-10H,7H2,1-2H3
InChIKeyRKMWNSNWYGTHLQ-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.37
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-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione?
The IUPAC name of 2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione (CID 70337301) is 2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione is CC(C)CN1C(=O)C2C=CC=CC2C1=O.
What is the InChIKey of 2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione?
The InChIKey is RKMWNSNWYGTHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione?
2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione has a molecular weight of 205.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3a,7a-dihydroisoindole-1,3-dione is sourced from PubChem (CID 70337301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).