2-heptan-3-yloxypyrazine

C11H18N2O — CID 22248979

IUPAC2-heptan-3-yloxypyrazine
SMILESCCCCC(CC)Oc1cnccn1
InChIInChI=1S/C11H18N2O/c1-3-5-6-10(4-2)14-11-9-12-7-8-13-11/h7-10H,3-6H2,1-2H3
InChIKeyHNYDDJYVGSEALE-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.82
Rot. Bonds6

About 2-heptan-3-yloxypyrazine

2-heptan-3-yloxypyrazine (PubChem CID 22248979) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-heptan-3-yloxypyrazine.

Molecular Properties

Compound Name2-heptan-3-yloxypyrazine
PubChem CID22248979
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-heptan-3-yloxypyrazine
SMILESCCCCC(CC)Oc1cnccn1
InChIInChI=1S/C11H18N2O/c1-3-5-6-10(4-2)14-11-9-12-7-8-13-11/h7-10H,3-6H2,1-2H3
InChIKeyHNYDDJYVGSEALE-UHFFFAOYSA-N
XLogP2.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yloxypyrazine?
The IUPAC name of 2-heptan-3-yloxypyrazine (CID 22248979) is 2-heptan-3-yloxypyrazine.
What is the SMILES notation for 2-heptan-3-yloxypyrazine?
The canonical SMILES for 2-heptan-3-yloxypyrazine is CCCCC(CC)Oc1cnccn1.
What is the InChIKey of 2-heptan-3-yloxypyrazine?
The InChIKey is HNYDDJYVGSEALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-5-6-10(4-2)14-11-9-12-7-8-13-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-heptan-3-yloxypyrazine?
2-heptan-3-yloxypyrazine has a molecular weight of 194.28 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yloxypyrazine is sourced from PubChem (CID 22248979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).