3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one

C11H21NO — CID 67806097

IUPAC3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)CC1CCN(C(C)C)C1=O
InChIInChI=1S/C11H21NO/c1-8(2)7-10-5-6-12(9(3)4)11(10)13/h8-10H,5-7H2,1-4H3
InChIKeyLBZZCIAANNLETO-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds3

About 3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one

3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 67806097) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID67806097
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)CC1CCN(C(C)C)C1=O
InChIInChI=1S/C11H21NO/c1-8(2)7-10-5-6-12(9(3)4)11(10)13/h8-10H,5-7H2,1-4H3
InChIKeyLBZZCIAANNLETO-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one (CID 67806097) is 3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)CC1CCN(C(C)C)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is LBZZCIAANNLETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)7-10-5-6-12(9(3)4)11(10)13/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one?
3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 67806097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).