3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione

C14H23NO4 — CID 100761405

IUPAC3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CCCO[C@@H]2CCCCO2)C1=O
InChIInChI=1S/C14H23NO4/c1-14(2)10-11(16)15(13(14)17)7-5-9-19-12-6-3-4-8-18-12/h12H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyDCPVTTQCXOUEAF-GFCCVEGCSA-N
MW269.34 g/mol
LogP1.70
Rot. Bonds5

About 3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione (PubChem CID 100761405) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione
PubChem CID100761405
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CCCO[C@@H]2CCCCO2)C1=O
InChIInChI=1S/C14H23NO4/c1-14(2)10-11(16)15(13(14)17)7-5-9-19-12-6-3-4-8-18-12/h12H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyDCPVTTQCXOUEAF-GFCCVEGCSA-N
XLogP1.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
CID 10977596
(5R)-5-(methoxymethyl)-5-methyl-3-[2-[(2S)-oxan-2-yl]oxyethyl]imidazolidine-2,4-dione
CID 99799557
2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
CID 20633393
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-(4,4-dimethylpentoxy)oxane
CID 59628221
1-hex-5-ynyl-3,3-dimethylpyrrolidine-2,5-dione
CID 106209087
3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one
CID 121451856
1,6-dimethyl-5-nitro-3-[3-(oxan-2-yloxy)propyl]pyrimidine-2,4-dione
CID 118863790
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione (CID 100761405) is 3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione is CC1(C)CC(=O)N(CCCO[C@@H]2CCCCO2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione?
The InChIKey is DCPVTTQCXOUEAF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2)10-11(16)15(13(14)17)7-5-9-19-12-6-3-4-8-18-12/h12H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione has a molecular weight of 269.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-[(2R)-oxan-2-yl]oxypropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 100761405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).