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

C11H18N2O4 — CID 106297457

IUPAC3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NC2(CO)CCOCC2)C1=O
InChIInChI=1S/C11H18N2O4/c1-13-9(15)6-8(10(13)16)12-11(7-14)2-4-17-5-3-11/h8,12,14H,2-7H2,1H3
InChIKeyRGWPSFWYTKTWQZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-1.13
Rot. Bonds3

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

3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 106297457) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione
PubChem CID106297457
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NC2(CO)CCOCC2)C1=O
InChIInChI=1S/C11H18N2O4/c1-13-9(15)6-8(10(13)16)12-11(7-14)2-4-17-5-3-11/h8,12,14H,2-7H2,1H3
InChIKeyRGWPSFWYTKTWQZ-UHFFFAOYSA-N
XLogP-1.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione (CID 106297457) is 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(NC2(CO)CCOCC2)C1=O.
What is the InChIKey of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is RGWPSFWYTKTWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-13-9(15)6-8(10(13)16)12-11(7-14)2-4-17-5-3-11/h8,12,14H,2-7H2,1H3.
What are the key properties of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 242.27 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 106297457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).