1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one

C12H17NO2 — CID 79885172

IUPAC1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1CC(O)C1
InChIInChI=1S/C12H17NO2/c1-8-3-11(14)4-9(2)13(8)7-10-5-12(15)6-10/h3-4,10,12,15H,5-7H2,1-2H3
InChIKeyMFIRCSLNXKRGRG-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.24
Rot. Bonds2

About 1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one

1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one (PubChem CID 79885172) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one
PubChem CID79885172
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1CC(O)C1
InChIInChI=1S/C12H17NO2/c1-8-3-11(14)4-9(2)13(8)7-10-5-12(15)6-10/h3-4,10,12,15H,5-7H2,1-2H3
InChIKeyMFIRCSLNXKRGRG-UHFFFAOYSA-N
XLogP1.24
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one (CID 79885172) is 1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC1CC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one?
The InChIKey is MFIRCSLNXKRGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-3-11(14)4-9(2)13(8)7-10-5-12(15)6-10/h3-4,10,12,15H,5-7H2,1-2H3.
What are the key properties of 1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one?
1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one has a molecular weight of 207.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclobutyl)methyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).