4,5-ditert-butyl-2-propylpyrrol-3-one

C15H25NO — CID 20773155

IUPAC4,5-ditert-butyl-2-propylpyrrol-3-one
SMILESCCCC1=NC(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C15H25NO/c1-8-9-10-12(17)11(14(2,3)4)13(16-10)15(5,6)7/h8-9H2,1-7H3
InChIKeyVWTFXSDLRMEHCH-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.16
Rot. Bonds2

About 4,5-ditert-butyl-2-propylpyrrol-3-one

4,5-ditert-butyl-2-propylpyrrol-3-one (PubChem CID 20773155) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-propylpyrrol-3-one.

Molecular Properties

Compound Name4,5-ditert-butyl-2-propylpyrrol-3-one
PubChem CID20773155
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4,5-ditert-butyl-2-propylpyrrol-3-one
SMILESCCCC1=NC(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C15H25NO/c1-8-9-10-12(17)11(14(2,3)4)13(16-10)15(5,6)7/h8-9H2,1-7H3
InChIKeyVWTFXSDLRMEHCH-UHFFFAOYSA-N
XLogP4.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-propylpyrrol-3-one?
The IUPAC name of 4,5-ditert-butyl-2-propylpyrrol-3-one (CID 20773155) is 4,5-ditert-butyl-2-propylpyrrol-3-one.
What is the SMILES notation for 4,5-ditert-butyl-2-propylpyrrol-3-one?
The canonical SMILES for 4,5-ditert-butyl-2-propylpyrrol-3-one is CCCC1=NC(C(C)(C)C)=C(C(C)(C)C)C1=O.
What is the InChIKey of 4,5-ditert-butyl-2-propylpyrrol-3-one?
The InChIKey is VWTFXSDLRMEHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-8-9-10-12(17)11(14(2,3)4)13(16-10)15(5,6)7/h8-9H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-propylpyrrol-3-one?
4,5-ditert-butyl-2-propylpyrrol-3-one has a molecular weight of 235.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-propylpyrrol-3-one is sourced from PubChem (CID 20773155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).