1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione

C15H27NO3 — CID 155472486

IUPAC1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione
SMILESCCC(C)(C)OCC(C)(C)CN1C(=O)CC(C)C1=O
InChIInChI=1S/C15H27NO3/c1-7-15(5,6)19-10-14(3,4)9-16-12(17)8-11(2)13(16)18/h11H,7-10H2,1-6H3
InChIKeyMVALJPNVTLWAGF-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.61
Rot. Bonds6

About 1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione

1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 155472486) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione
PubChem CID155472486
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione
SMILESCCC(C)(C)OCC(C)(C)CN1C(=O)CC(C)C1=O
InChIInChI=1S/C15H27NO3/c1-7-15(5,6)19-10-14(3,4)9-16-12(17)8-11(2)13(16)18/h11H,7-10H2,1-6H3
InChIKeyMVALJPNVTLWAGF-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione (CID 155472486) is 1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione is CCC(C)(C)OCC(C)(C)CN1C(=O)CC(C)C1=O.
What is the InChIKey of 1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is MVALJPNVTLWAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-7-15(5,6)19-10-14(3,4)9-16-12(17)8-11(2)13(16)18/h11H,7-10H2,1-6H3.
What are the key properties of 1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione?
1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 269.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 155472486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).