3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione

C12H17NO2 — CID 77052914

IUPAC3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione
SMILESCC1CCCC(=C2CC(=O)NC2=O)C1C
InChIInChI=1S/C12H17NO2/c1-7-4-3-5-9(8(7)2)10-6-11(14)13-12(10)15/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyBURBUZUJQYPUFE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.79
Rot. Bonds

About 3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione

3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione (PubChem CID 77052914) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione
PubChem CID77052914
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione
SMILESCC1CCCC(=C2CC(=O)NC2=O)C1C
InChIInChI=1S/C12H17NO2/c1-7-4-3-5-9(8(7)2)10-6-11(14)13-12(10)15/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyBURBUZUJQYPUFE-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-cyclobutylidenepyrrolidine-2,5-dione
CID 81251544
3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione
CID 77040050
1-(2-methylcyclopentyl)-1,3-diazinane-2,4-dione
CID 79777374
1,2-dimethyl-3-methylidenecyclohexane
CID 54109337
1,5,6,7,8,9-hexahydro-3-benzazepine-2,4-dione
CID 24974773
5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 12612699
8-methyl-2,3,5,6,7,8-hexahydro-1H-azulen-4-one
CID 130028950
3-(cyclopentylmethylidene)pyrrolidine-2,5-dione
CID 77039986
7,8-dimethylbicyclo[4.2.0]oct-1(6)-ene
CID 71341111
6-methylpiperidin-2-one;propane
CID 142225224
4-hydroxy-3,4-dimethylpyrrolidin-2-one
CID 55286568
1-(2,3-dimethylcyclohexylidene)propan-2-one
CID 103970997

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione (CID 77052914) is 3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione is CC1CCCC(=C2CC(=O)NC2=O)C1C.
What is the InChIKey of 3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione?
The InChIKey is BURBUZUJQYPUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-4-3-5-9(8(7)2)10-6-11(14)13-12(10)15/h7-8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione?
3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 77052914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).