6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone

C12H14N2O2 — CID 115797296

IUPAC6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)C1C2CCCC21
InChIInChI=1S/C12H14N2O2/c1-16-12-10(13-5-6-14-12)11(15)9-7-3-2-4-8(7)9/h5-9H,2-4H2,1H3
InChIKeyZIXZUSHSAUTALG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.71
Rot. Bonds3

About 6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone

6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone (PubChem CID 115797296) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone
PubChem CID115797296
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)C1C2CCCC21
InChIInChI=1S/C12H14N2O2/c1-16-12-10(13-5-6-14-12)11(15)9-7-3-2-4-8(7)9/h5-9H,2-4H2,1H3
InChIKeyZIXZUSHSAUTALG-UHFFFAOYSA-N
XLogP1.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone (CID 115797296) is 6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is ZIXZUSHSAUTALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-12-10(13-5-6-14-12)11(15)9-7-3-2-4-8(7)9/h5-9H,2-4H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone?
6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 218.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 115797296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).