4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one

C13H17NO2 — CID 142685354

IUPAC4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one
SMILESCOCc1ccc(C2CCC(=O)CC2)nc1
InChIInChI=1S/C13H17NO2/c1-16-9-10-2-7-13(14-8-10)11-3-5-12(15)6-4-11/h2,7-8,11H,3-6,9H2,1H3
InChIKeySSOOTGICFQWINB-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.45
Rot. Bonds3

About 4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one

4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one (PubChem CID 142685354) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one
PubChem CID142685354
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one
SMILESCOCc1ccc(C2CCC(=O)CC2)nc1
InChIInChI=1S/C13H17NO2/c1-16-9-10-2-7-13(14-8-10)11-3-5-12(15)6-4-11/h2,7-8,11H,3-6,9H2,1H3
InChIKeySSOOTGICFQWINB-UHFFFAOYSA-N
XLogP2.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one?
The IUPAC name of 4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one (CID 142685354) is 4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one.
What is the SMILES notation for 4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one?
The canonical SMILES for 4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one is COCc1ccc(C2CCC(=O)CC2)nc1.
What is the InChIKey of 4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one?
The InChIKey is SSOOTGICFQWINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-9-10-2-7-13(14-8-10)11-3-5-12(15)6-4-11/h2,7-8,11H,3-6,9H2,1H3.
What are the key properties of 4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one?
4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one is sourced from PubChem (CID 142685354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).