2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone

C15H21NO2 — CID 115793367

IUPAC2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
SMILESCOc1cncc(C(=O)CC2CCCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-14-9-13(10-16-11-14)15(17)8-12-6-4-2-3-5-7-12/h9-12H,2-8H2,1H3
InChIKeyZBCRQTCHLZUQHR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.63
Rot. Bonds4

About 2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone

2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone (PubChem CID 115793367) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
PubChem CID115793367
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
SMILESCOc1cncc(C(=O)CC2CCCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-14-9-13(10-16-11-14)15(17)8-12-6-4-2-3-5-7-12/h9-12H,2-8H2,1H3
InChIKeyZBCRQTCHLZUQHR-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
2-cyclohexyl-1-pyrimidin-5-ylethanone
CID 114965913
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-piperidin-4-yl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116559903
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one
CID 116555889
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
CID 54920032
1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861337
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethylpentan-1-one
CID 115793471

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone (CID 115793367) is 2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone is COc1cncc(C(=O)CC2CCCCCC2)c1.
What is the InChIKey of 2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone?
The InChIKey is ZBCRQTCHLZUQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-14-9-13(10-16-11-14)15(17)8-12-6-4-2-3-5-7-12/h9-12H,2-8H2,1H3.
What are the key properties of 2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone?
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 115793367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).