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

C13H19NO2 — CID 77040050

IUPAC3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione
SMILESCC1CC(=C2CC(=O)NC2=O)CC(C)(C)C1
InChIInChI=1S/C13H19NO2/c1-8-4-9(7-13(2,3)6-8)10-5-11(15)14-12(10)16/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyUVEGNMIFINQAIL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds

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

3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione (PubChem CID 77040050) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione
PubChem CID77040050
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione
SMILESCC1CC(=C2CC(=O)NC2=O)CC(C)(C)C1
InChIInChI=1S/C13H19NO2/c1-8-4-9(7-13(2,3)6-8)10-5-11(15)14-12(10)16/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyUVEGNMIFINQAIL-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.18
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
1,2,4,4,6-pentamethylcycloheptene
CID 91222128
(2E)-2-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135779942
6,6,8-trimethyl-1-azaspiro[3.5]nonan-2-one
CID 64664078
ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane
CID 142048618
3-(2,3-dimethylcyclohexylidene)pyrrolidine-2,5-dione
CID 77052914
(2Z)-2-[[(5S)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 176524830
(2E)-2-[[(5R)-3,3,5-trimethylcyclohexylidene]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 176531190
7,7,9-trimethyl-1,2-diazaspiro[4.5]decan-3-one
CID 164647039
1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one
CID 66107420
1,3,5,5,7-pentamethyl-4,6,7,8-tetrahydrocyclohepta[c]thiophene
CID 129052591
1,1,3-trimethylcyclobutane
CID 12656861

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione (CID 77040050) is 3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione is CC1CC(=C2CC(=O)NC2=O)CC(C)(C)C1.
What is the InChIKey of 3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione?
The InChIKey is UVEGNMIFINQAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-4-9(7-13(2,3)6-8)10-5-11(15)14-12(10)16/h8H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione?
3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione has a molecular weight of 221.30 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,5-trimethylcyclohexylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 77040050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).