4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one

C13H17NO2 — CID 174278587

IUPAC4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one
SMILESCOCc1cccnc1C1CCC(=O)CC1
InChIInChI=1S/C13H17NO2/c1-16-9-11-3-2-8-14-13(11)10-4-6-12(15)7-5-10/h2-3,8,10H,4-7,9H2,1H3
InChIKeyUYNGGZNYRWSTKG-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.45
Rot. Bonds3

About 4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one

4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one (PubChem CID 174278587) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one
PubChem CID174278587
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one
SMILESCOCc1cccnc1C1CCC(=O)CC1
InChIInChI=1S/C13H17NO2/c1-16-9-11-3-2-8-14-13(11)10-4-6-12(15)7-5-10/h2-3,8,10H,4-7,9H2,1H3
InChIKeyUYNGGZNYRWSTKG-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

Analyze 4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one?
The IUPAC name of 4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one (CID 174278587) is 4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one?
The canonical SMILES for 4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one is COCc1cccnc1C1CCC(=O)CC1.
What is the InChIKey of 4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one?
The InChIKey is UYNGGZNYRWSTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-9-11-3-2-8-14-13(11)10-4-6-12(15)7-5-10/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one?
4-[3-(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-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one is sourced from PubChem (CID 174278587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).