4-tert-butyl-1-propan-2-ylpyrrolidin-2-one

C11H21NO — CID 58394818

IUPAC4-tert-butyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C11H21NO/c1-8(2)12-7-9(6-10(12)13)11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyUKCSBCCCKXCVOS-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds1

About 4-tert-butyl-1-propan-2-ylpyrrolidin-2-one

4-tert-butyl-1-propan-2-ylpyrrolidin-2-one (PubChem CID 58394818) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-tert-butyl-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-propan-2-ylpyrrolidin-2-one
PubChem CID58394818
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-tert-butyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C11H21NO/c1-8(2)12-7-9(6-10(12)13)11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyUKCSBCCCKXCVOS-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-propan-2-ylpyrrolidin-2-one (CID 58394818) is 4-tert-butyl-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(C)(C)C)CC1=O.
What is the InChIKey of 4-tert-butyl-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is UKCSBCCCKXCVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)12-7-9(6-10(12)13)11(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-1-propan-2-ylpyrrolidin-2-one?
4-tert-butyl-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 58394818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).