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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Related Compounds

1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione
CID 106301495
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 61291676
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carbothioamide
CID 61124712
5-ethyl-2-[1-(hydroxymethyl)cyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513168
3,3-diethyl-1-(1-hydroxybutan-2-yl)pyrrolidine-2,5-dione
CID 61207899
2-[1-(hydroxymethyl)cyclohexyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 62520018
3,3-diethyl-1-(4-hydroxybutan-2-yl)pyrrolidine-2,5-dione
CID 83188528
2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 63763206
3-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 64701544
2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid
CID 64699591
2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980015
4-[1-(hydroxymethyl)cyclohexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 62520549

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).