3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione

C12H17NO3 — CID 139259778

IUPAC3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(C2CCCC2=O)C1=O
InChIInChI=1S/C12H17NO3/c1-2-6-13-11(15)7-9(12(13)16)8-4-3-5-10(8)14/h8-9H,2-7H2,1H3
InChIKeyUAUTWRWVVIFIRC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.14
Rot. Bonds3

About 3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione

3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione (PubChem CID 139259778) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione
PubChem CID139259778
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(C2CCCC2=O)C1=O
InChIInChI=1S/C12H17NO3/c1-2-6-13-11(15)7-9(12(13)16)8-4-3-5-10(8)14/h8-9H,2-7H2,1H3
InChIKeyUAUTWRWVVIFIRC-UHFFFAOYSA-N
XLogP1.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.14
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-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione (CID 139259778) is 3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(C2CCCC2=O)C1=O.
What is the InChIKey of 3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione?
The InChIKey is UAUTWRWVVIFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-6-13-11(15)7-9(12(13)16)8-4-3-5-10(8)14/h8-9H,2-7H2,1H3.
What are the key properties of 3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione?
3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione has a molecular weight of 223.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxocyclopentyl)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 139259778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).