cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone

C13H16N2O3 — CID 103450024

IUPACcyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone
SMILESCOc1cnc(C(=O)C2=CCCCC2)c(OC)n1
InChIInChI=1S/C13H16N2O3/c1-17-10-8-14-11(13(15-10)18-2)12(16)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
InChIKeyTUWLJNFZOQZXKT-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.18
Rot. Bonds4

About cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone

cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone (PubChem CID 103450024) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone
PubChem CID103450024
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namecyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone
SMILESCOc1cnc(C(=O)C2=CCCCC2)c(OC)n1
InChIInChI=1S/C13H16N2O3/c1-17-10-8-14-11(13(15-10)18-2)12(16)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
InChIKeyTUWLJNFZOQZXKT-UHFFFAOYSA-N
XLogP2.18
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone (CID 103450024) is cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone is COc1cnc(C(=O)C2=CCCCC2)c(OC)n1.
What is the InChIKey of cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone?
The InChIKey is TUWLJNFZOQZXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-10-8-14-11(13(15-10)18-2)12(16)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone?
cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone has a molecular weight of 248.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone is sourced from PubChem (CID 103450024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).