4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one

C10H20N2O — CID 117023224

IUPAC4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one
SMILESCCC(C)N1C(=O)CC(N)C1(C)C
InChIInChI=1S/C10H20N2O/c1-5-7(2)12-9(13)6-8(11)10(12,3)4/h7-8H,5-6,11H2,1-4H3
InChIKeyAYXYFMPUGQQGOF-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.12
Rot. Bonds2

About 4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one

4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one (PubChem CID 117023224) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one
PubChem CID117023224
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one
SMILESCCC(C)N1C(=O)CC(N)C1(C)C
InChIInChI=1S/C10H20N2O/c1-5-7(2)12-9(13)6-8(11)10(12,3)4/h7-8H,5-6,11H2,1-4H3
InChIKeyAYXYFMPUGQQGOF-UHFFFAOYSA-N
XLogP1.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one (CID 117023224) is 4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one is CCC(C)N1C(=O)CC(N)C1(C)C.
What is the InChIKey of 4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one?
The InChIKey is AYXYFMPUGQQGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-7(2)12-9(13)6-8(11)10(12,3)4/h7-8H,5-6,11H2,1-4H3.
What are the key properties of 4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one?
4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-butan-2-yl-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 117023224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).