(E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one

C16H16N2O2 — CID 6474713

IUPAC(E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one
SMILESCCCc1cnc(C(=O)/C=C/c2ccccc2O)cn1
InChIInChI=1S/C16H16N2O2/c1-2-5-13-10-18-14(11-17-13)16(20)9-8-12-6-3-4-7-15(12)19/h3-4,6-11,19H,2,5H2,1H3/b9-8+
InChIKeyLMIDVWCGSFPHHM-CMDGGOBGSA-N
MW268.32 g/mol
LogP3.03
Rot. Bonds5

About (E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one

(E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one (PubChem CID 6474713) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one
PubChem CID6474713
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one
SMILESCCCc1cnc(C(=O)/C=C/c2ccccc2O)cn1
InChIInChI=1S/C16H16N2O2/c1-2-5-13-10-18-14(11-17-13)16(20)9-8-12-6-3-4-7-15(12)19/h3-4,6-11,19H,2,5H2,1H3/b9-8+
InChIKeyLMIDVWCGSFPHHM-CMDGGOBGSA-N
XLogP3.03
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one (CID 6474713) is (E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one is CCCc1cnc(C(=O)/C=C/c2ccccc2O)cn1.
What is the InChIKey of (E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one?
The InChIKey is LMIDVWCGSFPHHM-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-5-13-10-18-14(11-17-13)16(20)9-8-12-6-3-4-7-15(12)19/h3-4,6-11,19H,2,5H2,1H3/b9-8+.
What are the key properties of (E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one?
(E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one has a molecular weight of 268.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxyphenyl)-1-(5-propylpyrazin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 6474713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).