3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one

C12H22N2O — CID 64732496

IUPAC3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one
SMILESCC1CC(C)CC(N2CCC(N)C2=O)C1
InChIInChI=1S/C12H22N2O/c1-8-5-9(2)7-10(6-8)14-4-3-11(13)12(14)15/h8-11H,3-7,13H2,1-2H3
InChIKeyBUZIGORHGUGJJD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds1

About 3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one

3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one (PubChem CID 64732496) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one
PubChem CID64732496
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one
SMILESCC1CC(C)CC(N2CCC(N)C2=O)C1
InChIInChI=1S/C12H22N2O/c1-8-5-9(2)7-10(6-8)14-4-3-11(13)12(14)15/h8-11H,3-7,13H2,1-2H3
InChIKeyBUZIGORHGUGJJD-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one (CID 64732496) is 3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one is CC1CC(C)CC(N2CCC(N)C2=O)C1.
What is the InChIKey of 3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one?
The InChIKey is BUZIGORHGUGJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8-5-9(2)7-10(6-8)14-4-3-11(13)12(14)15/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one?
3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dimethylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 64732496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).