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

C11H17NO4 — CID 106299415

IUPAC1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C2(CO)CCOCC2)C1=O
InChIInChI=1S/C11H17NO4/c1-8-6-9(14)12(10(8)15)11(7-13)2-4-16-5-3-11/h8,13H,2-7H2,1H3
InChIKeyDADUODNLSXMAOF-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.08
Rot. Bonds2

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

1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione (PubChem CID 106299415) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione
PubChem CID106299415
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C2(CO)CCOCC2)C1=O
InChIInChI=1S/C11H17NO4/c1-8-6-9(14)12(10(8)15)11(7-13)2-4-16-5-3-11/h8,13H,2-7H2,1H3
InChIKeyDADUODNLSXMAOF-UHFFFAOYSA-N
XLogP-0.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.08
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-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione (CID 106299415) is 1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(C2(CO)CCOCC2)C1=O.
What is the InChIKey of 1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is DADUODNLSXMAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8-6-9(14)12(10(8)15)11(7-13)2-4-16-5-3-11/h8,13H,2-7H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione?
1-[4-(hydroxymethyl)oxan-4-yl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 227.26 g/mol, XLogP of -0.08, 2 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-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 106299415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).