1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone

C12H15NO2 — CID 114825947

IUPAC1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone
SMILESCC1CC(C(=O)Cc2ccccn2)CO1
InChIInChI=1S/C12H15NO2/c1-9-6-10(8-15-9)12(14)7-11-4-2-3-5-13-11/h2-5,9-10H,6-8H2,1H3
InChIKeyOFDNFYIPGHTTHR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.62
Rot. Bonds3

About 1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone

1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone (PubChem CID 114825947) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone
PubChem CID114825947
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone
SMILESCC1CC(C(=O)Cc2ccccn2)CO1
InChIInChI=1S/C12H15NO2/c1-9-6-10(8-15-9)12(14)7-11-4-2-3-5-13-11/h2-5,9-10H,6-8H2,1H3
InChIKeyOFDNFYIPGHTTHR-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825779
2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825946
2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 115795793
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone
CID 115791904
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114964753
benzyl 7-(2-pyridin-2-ylacetyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945187
1-(5-methyloxolan-3-yl)but-3-en-1-one
CID 114964274
tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
CID 46941819
[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
CID 90113041
1-(2,2-dimethylcyclohexyl)-2-pyridin-2-ylethanone
CID 107179819
CID 131857449
CID 131857449
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone (CID 114825947) is 1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone is CC1CC(C(=O)Cc2ccccn2)CO1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone?
The InChIKey is OFDNFYIPGHTTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-6-10(8-15-9)12(14)7-11-4-2-3-5-13-11/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone?
1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone has a molecular weight of 205.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 114825947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).