2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone

C12H22N2O — CID 79854762

IUPAC2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CN(C(=O)CC2(N)CCC2)CC1C
InChIInChI=1S/C12H22N2O/c1-9-7-14(8-10(9)2)11(15)6-12(13)4-3-5-12/h9-10H,3-8,13H2,1-2H3
InChIKeyIFNULHQBRYQAQU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds2

About 2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone

2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone (PubChem CID 79854762) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
PubChem CID79854762
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
SMILESCC1CN(C(=O)CC2(N)CCC2)CC1C
InChIInChI=1S/C12H22N2O/c1-9-7-14(8-10(9)2)11(15)6-12(13)4-3-5-12/h9-10H,3-8,13H2,1-2H3
InChIKeyIFNULHQBRYQAQU-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone (CID 79854762) is 2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone is CC1CN(C(=O)CC2(N)CCC2)CC1C.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
The InChIKey is IFNULHQBRYQAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-7-14(8-10(9)2)11(15)6-12(13)4-3-5-12/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone?
2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 79854762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).