1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione

C15H23NO4 — CID 156791276

IUPAC1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione
SMILESCC(C)(C)OCC1CC1(C)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23NO4/c1-14(2,3)20-10-11-9-15(11,4)19-8-7-16-12(17)5-6-13(16)18/h5-6,11H,7-10H2,1-4H3
InChIKeyQFKMVEXLXVUSEX-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.52
Rot. Bonds6

About 1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione

1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione (PubChem CID 156791276) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione
PubChem CID156791276
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione
SMILESCC(C)(C)OCC1CC1(C)OCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23NO4/c1-14(2,3)20-10-11-9-15(11,4)19-8-7-16-12(17)5-6-13(16)18/h5-6,11H,7-10H2,1-4H3
InChIKeyQFKMVEXLXVUSEX-UHFFFAOYSA-N
XLogP1.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
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-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione (CID 156791276) is 1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione is CC(C)(C)OCC1CC1(C)OCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione?
The InChIKey is QFKMVEXLXVUSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-14(2,3)20-10-11-9-15(11,4)19-8-7-16-12(17)5-6-13(16)18/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione?
1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione has a molecular weight of 281.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]oxyethyl]pyrrole-2,5-dione is sourced from PubChem (CID 156791276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).