cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone

C13H16N2O2 — CID 103450540

IUPACcyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)C1=CCCCCC1
InChIInChI=1S/C13H16N2O2/c1-17-13-11(14-8-9-15-13)12(16)10-6-4-2-3-5-7-10/h6,8-9H,2-5,7H2,1H3
InChIKeyQZGRKMJSQMUJLC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.56
Rot. Bonds3

About cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone

cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone (PubChem CID 103450540) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone
PubChem CID103450540
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namecyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)C1=CCCCCC1
InChIInChI=1S/C13H16N2O2/c1-17-13-11(14-8-9-15-13)12(16)10-6-4-2-3-5-7-10/h6,8-9H,2-5,7H2,1H3
InChIKeyQZGRKMJSQMUJLC-UHFFFAOYSA-N
XLogP2.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone (CID 103450540) is cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)C1=CCCCCC1.
What is the InChIKey of cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is QZGRKMJSQMUJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-13-11(14-8-9-15-13)12(16)10-6-4-2-3-5-7-10/h6,8-9H,2-5,7H2,1H3.
What are the key properties of cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone?
cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 232.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 103450540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).