1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione

C15H25NO3 — CID 174339817

IUPAC1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione
SMILESCCC(C)(CC)OCCC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C15H25NO3/c1-6-15(5,7-2)19-11-10-14(3,4)16-12(17)8-9-13(16)18/h8-9H,6-7,10-11H2,1-5H3
InChIKeyBSUZSCOWYWCYJC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.68
Rot. Bonds7

About 1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione

1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione (PubChem CID 174339817) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione
PubChem CID174339817
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione
SMILESCCC(C)(CC)OCCC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C15H25NO3/c1-6-15(5,7-2)19-11-10-14(3,4)16-12(17)8-9-13(16)18/h8-9H,6-7,10-11H2,1-5H3
InChIKeyBSUZSCOWYWCYJC-UHFFFAOYSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.68
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-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione (CID 174339817) is 1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione is CCC(C)(CC)OCCC(C)(C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione?
The InChIKey is BSUZSCOWYWCYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-15(5,7-2)19-11-10-14(3,4)16-12(17)8-9-13(16)18/h8-9H,6-7,10-11H2,1-5H3.
What are the key properties of 1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione?
1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 174339817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).