1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one

C11H19NO — CID 126765759

IUPAC1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1CCC(C)(C)C
InChIInChI=1S/C11H19NO/c1-9-5-6-10(13)12(9)8-7-11(2,3)4/h1,5-8H2,2-4H3
InChIKeyKAYKPKIFIPRWFE-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.56
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one

1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one (PubChem CID 126765759) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one
PubChem CID126765759
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one
SMILESC=C1CCC(=O)N1CCC(C)(C)C
InChIInChI=1S/C11H19NO/c1-9-5-6-10(13)12(9)8-7-11(2,3)4/h1,5-8H2,2-4H3
InChIKeyKAYKPKIFIPRWFE-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one?
The IUPAC name of 1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one (CID 126765759) is 1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one is C=C1CCC(=O)N1CCC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one?
The InChIKey is KAYKPKIFIPRWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-5-6-10(13)12(9)8-7-11(2,3)4/h1,5-8H2,2-4H3.
What are the key properties of 1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one?
1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 126765759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).