3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione

C14H23NO4 — CID 106299511

IUPAC3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2(CO)CCOCC2)C1=O
InChIInChI=1S/C14H23NO4/c1-3-13(4-2)9-11(17)15(12(13)18)14(10-16)5-7-19-8-6-14/h16H,3-10H2,1-2H3
InChIKeyHBNOZRAWZNDNMF-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.09
Rot. Bonds4

About 3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione

3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione (PubChem CID 106299511) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione
PubChem CID106299511
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2(CO)CCOCC2)C1=O
InChIInChI=1S/C14H23NO4/c1-3-13(4-2)9-11(17)15(12(13)18)14(10-16)5-7-19-8-6-14/h16H,3-10H2,1-2H3
InChIKeyHBNOZRAWZNDNMF-UHFFFAOYSA-N
XLogP1.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione (CID 106299511) is 3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(C2(CO)CCOCC2)C1=O.
What is the InChIKey of 3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione?
The InChIKey is HBNOZRAWZNDNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-13(4-2)9-11(17)15(12(13)18)14(10-16)5-7-19-8-6-14/h16H,3-10H2,1-2H3.
What are the key properties of 3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione?
3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione has a molecular weight of 269.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[4-(hydroxymethyl)oxan-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 106299511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).