(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone

C12H15NO2 — CID 116706976

IUPAC(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone
SMILESCOC1(C(=O)c2cnccc2C)CCC1
InChIInChI=1S/C12H15NO2/c1-9-4-7-13-8-10(9)11(14)12(15-2)5-3-6-12/h4,7-8H,3,5-6H2,1-2H3
InChIKeyAGXUUJZMBIAYGH-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.14
Rot. Bonds3

About (1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone

(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 116706976) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone
PubChem CID116706976
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone
SMILESCOC1(C(=O)c2cnccc2C)CCC1
InChIInChI=1S/C12H15NO2/c1-9-4-7-13-8-10(9)11(14)12(15-2)5-3-6-12/h4,7-8H,3,5-6H2,1-2H3
InChIKeyAGXUUJZMBIAYGH-UHFFFAOYSA-N
XLogP2.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxycycloheptyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707746
(1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone
CID 103450134
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
CID 116600758
methyl 4-methylpyridine-3-carboxylate
CID 10877301
(1-methoxycyclobutyl)-(6-methyl-3-pyridinyl)methanone
CID 116707015
(1-methoxycyclohexyl)-pyrazin-2-ylmethanone
CID 116748019
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone
CID 116707050
isoquinolin-8-yl-(4-methoxyoxan-4-yl)methanone
CID 103143395
4-methylpyridine-3-carbonyl chloride
CID 22386188
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone (CID 116706976) is (1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone is COC1(C(=O)c2cnccc2C)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is AGXUUJZMBIAYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-4-7-13-8-10(9)11(14)12(15-2)5-3-6-12/h4,7-8H,3,5-6H2,1-2H3.
What are the key properties of (1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone?
(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 205.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116706976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).