1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone

C13H17NO2 — CID 104610156

IUPAC1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
SMILESCOC1(C(=O)Cc2ccncc2)CCCC1
InChIInChI=1S/C13H17NO2/c1-16-13(6-2-3-7-13)12(15)10-11-4-8-14-9-5-11/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyURZIIUQFKQFDMM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.15
Rot. Bonds4

About 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone

1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone (PubChem CID 104610156) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
PubChem CID104610156
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
SMILESCOC1(C(=O)Cc2ccncc2)CCCC1
InChIInChI=1S/C13H17NO2/c1-16-13(6-2-3-7-13)12(15)10-11-4-8-14-9-5-11/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyURZIIUQFKQFDMM-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone
CID 116750546
2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750408
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750562
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116706920
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
1-(1-methoxycyclopentyl)-2-quinolin-2-ylethanone
CID 104610088
2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone
CID 107308035
2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750361

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone (CID 104610156) is 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone is COC1(C(=O)Cc2ccncc2)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone?
The InChIKey is URZIIUQFKQFDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(6-2-3-7-13)12(15)10-11-4-8-14-9-5-11/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone?
1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone has a molecular weight of 219.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 104610156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).