2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine

C16H18N2O — CID 91944073

IUPAC2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine
SMILESCC(=Cc1ccc(OC(C)C)cc1)c1cnccn1
InChIInChI=1S/C16H18N2O/c1-12(2)19-15-6-4-14(5-7-15)10-13(3)16-11-17-8-9-18-16/h4-12H,1-3H3
InChIKeyQMOFNDAOAUBHIG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.82
Rot. Bonds4

About 2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine

2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine (PubChem CID 91944073) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine.

Molecular Properties

Compound Name2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine
PubChem CID91944073
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine
SMILESCC(=Cc1ccc(OC(C)C)cc1)c1cnccn1
InChIInChI=1S/C16H18N2O/c1-12(2)19-15-6-4-14(5-7-15)10-13(3)16-11-17-8-9-18-16/h4-12H,1-3H3
InChIKeyQMOFNDAOAUBHIG-UHFFFAOYSA-N
XLogP3.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine?
The IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine (CID 91944073) is 2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine.
What is the SMILES notation for 2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine?
The canonical SMILES for 2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine is CC(=Cc1ccc(OC(C)C)cc1)c1cnccn1.
What is the InChIKey of 2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine?
The InChIKey is QMOFNDAOAUBHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(2)19-15-6-4-14(5-7-15)10-13(3)16-11-17-8-9-18-16/h4-12H,1-3H3.
What are the key properties of 2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine?
2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine has a molecular weight of 254.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]pyrazine is sourced from PubChem (CID 91944073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).