1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione

C13H19NO2 — CID 90206835

IUPAC1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione
SMILESCC1C2CC(C1C)C1(CC(=O)N(C)C1=O)C2
InChIInChI=1S/C13H19NO2/c1-7-8(2)10-4-9(7)5-13(10)6-11(15)14(3)12(13)16/h7-10H,4-6H2,1-3H3
InChIKeyNVKZYHBQZXMFMP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds

About 1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione

1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione (PubChem CID 90206835) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione
PubChem CID90206835
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione
SMILESCC1C2CC(C1C)C1(CC(=O)N(C)C1=O)C2
InChIInChI=1S/C13H19NO2/c1-7-8(2)10-4-9(7)5-13(10)6-11(15)14(3)12(13)16/h7-10H,4-6H2,1-3H3
InChIKeyNVKZYHBQZXMFMP-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
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 1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione (CID 90206835) is 1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione is CC1C2CC(C1C)C1(CC(=O)N(C)C1=O)C2.
What is the InChIKey of 1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione?
The InChIKey is NVKZYHBQZXMFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-7-8(2)10-4-9(7)5-13(10)6-11(15)14(3)12(13)16/h7-10H,4-6H2,1-3H3.
What are the key properties of 1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione?
1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione has a molecular weight of 221.30 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 90206835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).