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

C11H22N2O — CID 115310346

IUPAC1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one
SMILESCC(C)CC(C)(CN)N1CCCC1=O
InChIInChI=1S/C11H22N2O/c1-9(2)7-11(3,8-12)13-6-4-5-10(13)14/h9H,4-8,12H2,1-3H3
InChIKeyKCEKUWXGZPHJTC-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds4

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

1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one (PubChem CID 115310346) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one
PubChem CID115310346
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one
SMILESCC(C)CC(C)(CN)N1CCCC1=O
InChIInChI=1S/C11H22N2O/c1-9(2)7-11(3,8-12)13-6-4-5-10(13)14/h9H,4-8,12H2,1-3H3
InChIKeyKCEKUWXGZPHJTC-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one (CID 115310346) is 1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one is CC(C)CC(C)(CN)N1CCCC1=O.
What is the InChIKey of 1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one?
The InChIKey is KCEKUWXGZPHJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)7-11(3,8-12)13-6-4-5-10(13)14/h9H,4-8,12H2,1-3H3.
What are the key properties of 1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one?
1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 115310346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).