7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione

C10H13NO2 — CID 19896036

IUPAC7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione
SMILESCC1(C)CCCC2=C1C(=O)NC2=O
InChIInChI=1S/C10H13NO2/c1-10(2)5-3-4-6-7(10)9(13)11-8(6)12/h3-5H2,1-2H3,(H,11,12,13)
InChIKeyUVGIRZCCVIGLNO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.15
Rot. Bonds

About 7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione

7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione (PubChem CID 19896036) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione.

Molecular Properties

Compound Name7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione
PubChem CID19896036
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione
SMILESCC1(C)CCCC2=C1C(=O)NC2=O
InChIInChI=1S/C10H13NO2/c1-10(2)5-3-4-6-7(10)9(13)11-8(6)12/h3-5H2,1-2H3,(H,11,12,13)
InChIKeyUVGIRZCCVIGLNO-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydrophthalimide
CID 34024
(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e]isoindole-1,3-dione
CID 156009480
7,7-dimethyl-2-(trichloromethylsulfanyl)-5,6-dihydro-4H-isoindole-1,3-dione
CID 333291
3-Methyl-4-(5,9,13-trimethyltetradecyl)-1H-pyrrole-2,5-dione
CID 558334
3-Cyclohexyl-4-methylpyrrole-2,5-dione
CID 19910844
3-Cyclohexyl-4-ethylpyrrole-2,5-dione
CID 21652865
4-Methyl-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 23039100
5-Methyl-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 23039101
3-(1-Methylcyclohexyl)pyrrole-2,5-dione
CID 23216412
4,4,5,5,7,7-hexamethyl-6H-cyclopenta[c]pyridine-1,3-dione
CID 59876627
4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one
CID 59876634
Methanol;4,5,6,7-tetrahydroisoindole-1,3-dione
CID 67811692

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione?
The IUPAC name of 7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione (CID 19896036) is 7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione.
What is the SMILES notation for 7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione?
The canonical SMILES for 7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione is CC1(C)CCCC2=C1C(=O)NC2=O.
What is the InChIKey of 7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione?
The InChIKey is UVGIRZCCVIGLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2)5-3-4-6-7(10)9(13)11-8(6)12/h3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione?
7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione has a molecular weight of 179.22 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5,6-dihydro-4H-isoindole-1,3-dione is sourced from PubChem (CID 19896036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).