4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one

C11H21NO — CID 66108493

IUPAC4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one
SMILESCCC(C)C1(C)CC(=O)NC1(C)C
InChIInChI=1S/C11H21NO/c1-6-8(2)11(5)7-9(13)12-10(11,3)4/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyUIJLAHPWKKCGCU-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds2

About 4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one

4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one (PubChem CID 66108493) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one
PubChem CID66108493
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one
SMILESCCC(C)C1(C)CC(=O)NC1(C)C
InChIInChI=1S/C11H21NO/c1-6-8(2)11(5)7-9(13)12-10(11,3)4/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyUIJLAHPWKKCGCU-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one?
The IUPAC name of 4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one (CID 66108493) is 4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one is CCC(C)C1(C)CC(=O)NC1(C)C.
What is the InChIKey of 4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one?
The InChIKey is UIJLAHPWKKCGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-8(2)11(5)7-9(13)12-10(11,3)4/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one?
4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 66108493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).