3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione

C14H23NO3 — CID 55082024

IUPAC3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2(CO)CCCC2)C1=O
InChIInChI=1S/C14H23NO3/c1-3-13(4-2)9-11(17)15(12(13)18)14(10-16)7-5-6-8-14/h16H,3-10H2,1-2H3
InChIKeyWNPSNYPAVREXJZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.86
Rot. Bonds4

About 3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione

3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione (PubChem CID 55082024) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione
PubChem CID55082024
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2(CO)CCCC2)C1=O
InChIInChI=1S/C14H23NO3/c1-3-13(4-2)9-11(17)15(12(13)18)14(10-16)7-5-6-8-14/h16H,3-10H2,1-2H3
InChIKeyWNPSNYPAVREXJZ-UHFFFAOYSA-N
XLogP1.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
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 3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione (CID 55082024) is 3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(C2(CO)CCCC2)C1=O.
What is the InChIKey of 3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione?
The InChIKey is WNPSNYPAVREXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-13(4-2)9-11(17)15(12(13)18)14(10-16)7-5-6-8-14/h16H,3-10H2,1-2H3.
What are the key properties of 3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione?
3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione has a molecular weight of 253.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55082024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).