3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one

C13H15NO2 — CID 10242465

IUPAC3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one
SMILESCOc1cccc(CC2=CC(=O)CCC2)n1
InChIInChI=1S/C13H15NO2/c1-16-13-7-3-5-11(14-13)8-10-4-2-6-12(15)9-10/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyNRFCUUXEZSCJHH-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.31
Rot. Bonds3

About 3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one

3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one (PubChem CID 10242465) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one
PubChem CID10242465
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one
SMILESCOc1cccc(CC2=CC(=O)CCC2)n1
InChIInChI=1S/C13H15NO2/c1-16-13-7-3-5-11(14-13)8-10-4-2-6-12(15)9-10/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyNRFCUUXEZSCJHH-UHFFFAOYSA-N
XLogP2.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one (CID 10242465) is 3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one is COc1cccc(CC2=CC(=O)CCC2)n1.
What is the InChIKey of 3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one?
The InChIKey is NRFCUUXEZSCJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-13-7-3-5-11(14-13)8-10-4-2-6-12(15)9-10/h3,5,7,9H,2,4,6,8H2,1H3.
What are the key properties of 3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one?
3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-pyridinyl)methyl]cyclohex-2-en-1-one is sourced from PubChem (CID 10242465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).