1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C14H23NO4 — CID 106299513

IUPAC1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(C2(CO)CCOCC2)C1=O
InChIInChI=1S/C14H23NO4/c1-10(2)13(3)8-11(17)15(12(13)18)14(9-16)4-6-19-7-5-14/h10,16H,4-9H2,1-3H3
InChIKeyJPNZVEGSAFGLHP-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.95
Rot. Bonds3

About 1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 106299513) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID106299513
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(C2(CO)CCOCC2)C1=O
InChIInChI=1S/C14H23NO4/c1-10(2)13(3)8-11(17)15(12(13)18)14(9-16)4-6-19-7-5-14/h10,16H,4-9H2,1-3H3
InChIKeyJPNZVEGSAFGLHP-UHFFFAOYSA-N
XLogP0.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.95
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 1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 106299513) is 1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(C2(CO)CCOCC2)C1=O.
What is the InChIKey of 1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is JPNZVEGSAFGLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(2)13(3)8-11(17)15(12(13)18)14(9-16)4-6-19-7-5-14/h10,16H,4-9H2,1-3H3.
What are the key properties of 1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 269.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)oxan-4-yl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 106299513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).