4-tert-butylpyrrolidin-2-one

C8H15NO — CID 20792996

IUPAC4-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)C1CNC(=O)C1
InChIInChI=1S/C8H15NO/c1-8(2,3)6-4-7(10)9-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyOFWOAFJRYDAAGI-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.17
Rot. Bonds

About 4-tert-butylpyrrolidin-2-one

4-tert-butylpyrrolidin-2-one (PubChem CID 20792996) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butylpyrrolidin-2-one
PubChem CID20792996
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)C1CNC(=O)C1
InChIInChI=1S/C8H15NO/c1-8(2,3)6-4-7(10)9-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyOFWOAFJRYDAAGI-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyrrolidin-2-one?
The IUPAC name of 4-tert-butylpyrrolidin-2-one (CID 20792996) is 4-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 4-tert-butylpyrrolidin-2-one?
The canonical SMILES for 4-tert-butylpyrrolidin-2-one is CC(C)(C)C1CNC(=O)C1.
What is the InChIKey of 4-tert-butylpyrrolidin-2-one?
The InChIKey is OFWOAFJRYDAAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,3)6-4-7(10)9-5-6/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 4-tert-butylpyrrolidin-2-one?
4-tert-butylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 20792996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).