1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one

C11H21NO — CID 130210872

IUPAC1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one
SMILESCC(C)CC(C)(C)N1CCCC1=O
InChIInChI=1S/C11H21NO/c1-9(2)8-11(3,4)12-7-5-6-10(12)13/h9H,5-8H2,1-4H3
InChIKeyYYKIRLZFEDQLNQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.43
Rot. Bonds3

About 1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one

1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one (PubChem CID 130210872) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one
PubChem CID130210872
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one
SMILESCC(C)CC(C)(C)N1CCCC1=O
InChIInChI=1S/C11H21NO/c1-9(2)8-11(3,4)12-7-5-6-10(12)13/h9H,5-8H2,1-4H3
InChIKeyYYKIRLZFEDQLNQ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 115310346
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
CID 122459061
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
1-(2,4-dimethylpentan-2-yl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 137419712
1-(1,1-difluoropropyl)pyrrolidin-2-one
CID 174968097
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81486507
3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 166881501
1-butan-2-yloxypyrrolidin-2-one
CID 163678451
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one
CID 91559137
1-(2,4-dimethylpentan-2-yl)pyrrole-2,5-dione
CID 123254640

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one (CID 130210872) is 1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one is CC(C)CC(C)(C)N1CCCC1=O.
What is the InChIKey of 1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one?
The InChIKey is YYKIRLZFEDQLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)8-11(3,4)12-7-5-6-10(12)13/h9H,5-8H2,1-4H3.
What are the key properties of 1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one?
1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 130210872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).