1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione

C17H27NO4 — CID 18439131

IUPAC1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)OC1CCC(N2C(=O)C=CC2=O)C1OC(C)(C)C
InChIInChI=1S/C17H27NO4/c1-16(2,3)21-12-8-7-11(15(12)22-17(4,5)6)18-13(19)9-10-14(18)20/h9-12,15H,7-8H2,1-6H3
InChIKeyQBFDLVFNGVMWKD-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.44
Rot. Bonds3

About 1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione

1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione (PubChem CID 18439131) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione
PubChem CID18439131
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione
SMILESCC(C)(C)OC1CCC(N2C(=O)C=CC2=O)C1OC(C)(C)C
InChIInChI=1S/C17H27NO4/c1-16(2,3)21-12-8-7-11(15(12)22-17(4,5)6)18-13(19)9-10-14(18)20/h9-12,15H,7-8H2,1-6H3
InChIKeyQBFDLVFNGVMWKD-UHFFFAOYSA-N
XLogP2.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.44
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-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione (CID 18439131) is 1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione is CC(C)(C)OC1CCC(N2C(=O)C=CC2=O)C1OC(C)(C)C.
What is the InChIKey of 1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione?
The InChIKey is QBFDLVFNGVMWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-16(2,3)21-12-8-7-11(15(12)22-17(4,5)6)18-13(19)9-10-14(18)20/h9-12,15H,7-8H2,1-6H3.
What are the key properties of 1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione?
1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione has a molecular weight of 309.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 18439131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).