1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone

C15H21NO2 — CID 116750546

IUPAC1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone
SMILESCOC1(C(=O)Cc2cccnc2)CCCCCC1
InChIInChI=1S/C15H21NO2/c1-18-15(8-4-2-3-5-9-15)14(17)11-13-7-6-10-16-12-13/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKeyOUYSPGIVJOYCIZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.93
Rot. Bonds4

About 1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone

1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone (PubChem CID 116750546) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone
PubChem CID116750546
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone
SMILESCOC1(C(=O)Cc2cccnc2)CCCCCC1
InChIInChI=1S/C15H21NO2/c1-18-15(8-4-2-3-5-9-15)14(17)11-13-7-6-10-16-12-13/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKeyOUYSPGIVJOYCIZ-UHFFFAOYSA-N
XLogP2.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone
CID 115799062
2-pyridin-3-ylacetyl chloride
CID 14697475
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone
CID 107308035
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750542
1-(1-methoxycyclopentyl)-2-quinolin-2-ylethanone
CID 104610088
1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone
CID 116750169
1-[4-(aminomethyl)oxan-4-yl]-2-pyridin-3-ylethanone
CID 116603133
2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
CID 91780791
(1-methoxycyclohexyl)-pyrazin-2-ylmethanone
CID 116748019

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone (CID 116750546) is 1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone is COC1(C(=O)Cc2cccnc2)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone?
The InChIKey is OUYSPGIVJOYCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15(8-4-2-3-5-9-15)14(17)11-13-7-6-10-16-12-13/h6-7,10,12H,2-5,8-9,11H2,1H3.
What are the key properties of 1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone?
1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone has a molecular weight of 247.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 116750546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).