3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one

C10H20N2O — CID 140916776

IUPAC3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC(C)(N)CC1CC(C)(C)NC1=O
InChIInChI=1S/C10H20N2O/c1-9(2,11)5-7-6-10(3,4)12-8(7)13/h7H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyWKXNWCZOAJUDSY-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.03
Rot. Bonds2

About 3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one

3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 140916776) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID140916776
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC(C)(N)CC1CC(C)(C)NC1=O
InChIInChI=1S/C10H20N2O/c1-9(2,11)5-7-6-10(3,4)12-8(7)13/h7H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyWKXNWCZOAJUDSY-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one (CID 140916776) is 3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one is CC(C)(N)CC1CC(C)(C)NC1=O.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is WKXNWCZOAJUDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2,11)5-7-6-10(3,4)12-8(7)13/h7H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of 3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one?
3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 140916776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).