3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione

C13H19NO3 — CID 139259790

IUPAC3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(C2CCCCC2=O)C1=O
InChIInChI=1S/C13H19NO3/c1-8(2)14-12(16)7-10(13(14)17)9-5-3-4-6-11(9)15/h8-10H,3-7H2,1-2H3
InChIKeyRCNFFTNMCCRHME-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.53
Rot. Bonds2

About 3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione

3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 139259790) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID139259790
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(C2CCCCC2=O)C1=O
InChIInChI=1S/C13H19NO3/c1-8(2)14-12(16)7-10(13(14)17)9-5-3-4-6-11(9)15/h8-10H,3-7H2,1-2H3
InChIKeyRCNFFTNMCCRHME-UHFFFAOYSA-N
XLogP1.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione (CID 139259790) is 3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(C2CCCCC2=O)C1=O.
What is the InChIKey of 3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is RCNFFTNMCCRHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)14-12(16)7-10(13(14)17)9-5-3-4-6-11(9)15/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 237.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxocyclohexyl)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 139259790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).