2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione

C11H15NO2 — CID 167189611

IUPAC2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione
SMILESCC1CCC2=C(CC1)C(=O)N(C)C2=O
InChIInChI=1S/C11H15NO2/c1-7-3-5-8-9(6-4-7)11(14)12(2)10(8)13/h7H,3-6H2,1-2H3
InChIKeyJIOGOOPJLGMXHL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds

About 2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione

2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione (PubChem CID 167189611) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione
PubChem CID167189611
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione
SMILESCC1CCC2=C(CC1)C(=O)N(C)C2=O
InChIInChI=1S/C11H15NO2/c1-7-3-5-8-9(6-4-7)11(14)12(2)10(8)13/h7H,3-6H2,1-2H3
InChIKeyJIOGOOPJLGMXHL-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.49
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 2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione?
The IUPAC name of 2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione (CID 167189611) is 2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione?
The canonical SMILES for 2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione is CC1CCC2=C(CC1)C(=O)N(C)C2=O.
What is the InChIKey of 2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione?
The InChIKey is JIOGOOPJLGMXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-3-5-8-9(6-4-7)11(14)12(2)10(8)13/h7H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione?
2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione has a molecular weight of 193.25 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrole-1,3-dione is sourced from PubChem (CID 167189611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).