1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one

C15H21NO — CID 70667423

IUPAC1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-11-5-10-14(17)16(11)13-8-6-12(7-9-13)15(2,3)4/h6-9,11H,5,10H2,1-4H3
InChIKeyXVHOYMABQWWRFW-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.50
Rot. Bonds1

About 1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one

1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one (PubChem CID 70667423) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
PubChem CID70667423
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-11-5-10-14(17)16(11)13-8-6-12(7-9-13)15(2,3)4/h6-9,11H,5,10H2,1-4H3
InChIKeyXVHOYMABQWWRFW-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one (CID 70667423) is 1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one is CC1CCC(=O)N1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one?
The InChIKey is XVHOYMABQWWRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-10-14(17)16(11)13-8-6-12(7-9-13)15(2,3)4/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one?
1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 70667423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).