1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one

C12H18N2O — CID 103354314

IUPAC1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1(N)CCC1
InChIInChI=1S/C12H18N2O/c1-9-6-11(15)7-10(2)14(9)8-12(13)4-3-5-12/h6-7H,3-5,8,13H2,1-2H3
InChIKeyFHVHFBBULPMCIN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.35
Rot. Bonds2

About 1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one

1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one (PubChem CID 103354314) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one
PubChem CID103354314
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1(N)CCC1
InChIInChI=1S/C12H18N2O/c1-9-6-11(15)7-10(2)14(9)8-12(13)4-3-5-12/h6-7H,3-5,8,13H2,1-2H3
InChIKeyFHVHFBBULPMCIN-UHFFFAOYSA-N
XLogP1.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one (CID 103354314) is 1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC1(N)CCC1.
What is the InChIKey of 1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one?
The InChIKey is FHVHFBBULPMCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-11(15)7-10(2)14(9)8-12(13)4-3-5-12/h6-7H,3-5,8,13H2,1-2H3.
What are the key properties of 1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one?
1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclobutyl)methyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 103354314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).