3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione

C13H19NO2 — CID 79357989

IUPAC3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C13H19NO2/c1-8-6-10(15)14(11(8)16)7-9-12(2,3)13(9,4)5/h6,9H,7H2,1-5H3
InChIKeyLBVXQGOEMGXYRG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.98
Rot. Bonds2

About 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione

3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione (PubChem CID 79357989) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione
PubChem CID79357989
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C13H19NO2/c1-8-6-10(15)14(11(8)16)7-9-12(2,3)13(9,4)5/h6,9H,7H2,1-5H3
InChIKeyLBVXQGOEMGXYRG-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.98
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 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione (CID 79357989) is 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione is CC1=CC(=O)N(CC2C(C)(C)C2(C)C)C1=O.
What is the InChIKey of 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione?
The InChIKey is LBVXQGOEMGXYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-6-10(15)14(11(8)16)7-9-12(2,3)13(9,4)5/h6,9H,7H2,1-5H3.
What are the key properties of 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione?
3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione has a molecular weight of 221.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 79357989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).