2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone

C13H17NO2 — CID 103558920

IUPAC2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCOC1(CC(=O)c2cncc(C)c2)CCC1
InChIInChI=1S/C13H17NO2/c1-10-6-11(9-14-8-10)12(15)7-13(16-2)4-3-5-13/h6,8-9H,3-5,7H2,1-2H3
InChIKeyUYORJDLDCWYXJL-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.53
Rot. Bonds4

About 2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone

2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone (PubChem CID 103558920) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone
PubChem CID103558920
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCOC1(CC(=O)c2cncc(C)c2)CCC1
InChIInChI=1S/C13H17NO2/c1-10-6-11(9-14-8-10)12(15)7-13(16-2)4-3-5-13/h6,8-9H,3-5,7H2,1-2H3
InChIKeyUYORJDLDCWYXJL-UHFFFAOYSA-N
XLogP2.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxycyclobutyl)-1-(5-methylthiophen-3-yl)ethanone
CID 103558846
2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 103556021
1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558404
1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
CID 103558841
1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560896
1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558744
1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103556035
(1-aminocyclopentyl)-(5-methyl-3-pyridinyl)methanone
CID 116558812
methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 71995092
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
CID 111539461
5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide
CID 103991115

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone (CID 103558920) is 2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone is COC1(CC(=O)c2cncc(C)c2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone?
The InChIKey is UYORJDLDCWYXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-6-11(9-14-8-10)12(15)7-13(16-2)4-3-5-13/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone?
2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone has a molecular weight of 219.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 103558920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).