(E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one

C11H14N2O2 — CID 123707256

IUPAC(E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one
SMILESCC/C(=C\C(C)=O)OCc1cnccn1
InChIInChI=1S/C11H14N2O2/c1-3-11(6-9(2)14)15-8-10-7-12-4-5-13-10/h4-7H,3,8H2,1-2H3/b11-6+
InChIKeyKVUQNOUEBCTNJQ-IZZDOVSWSA-N
MW206.25 g/mol
LogP1.88
Rot. Bonds5

About (E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one

(E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one (PubChem CID 123707256) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one
PubChem CID123707256
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one
SMILESCC/C(=C\C(C)=O)OCc1cnccn1
InChIInChI=1S/C11H14N2O2/c1-3-11(6-9(2)14)15-8-10-7-12-4-5-13-10/h4-7H,3,8H2,1-2H3/b11-6+
InChIKeyKVUQNOUEBCTNJQ-IZZDOVSWSA-N
XLogP1.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(Propan-2-yloxymethyl)pyrazine
CID 23323031
(6-Methylpyrazin-2-yl)methyl prop-2-enoate
CID 23461988
(5,6-Dimethylpyrazin-2-yl)methyl prop-2-enoate
CID 23461996
Pyrazin-2-ylmethyl prop-2-enoate
CID 23462019
(5-Methylpyrazin-2-yl)methyl prop-2-enoate
CID 23462038
2-(Propoxymethyl)pyrazine
CID 53678102
[5-(Pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone
CID 57268529
2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine
CID 88931090
2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine
CID 88931091
1-Pyrazin-2-ylethyl acetate
CID 102050579
2-Methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine
CID 123522750
2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine
CID 144515494

Frequently Asked Questions

What is the IUPAC name of (E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one?
The IUPAC name of (E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one (CID 123707256) is (E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one.
What is the SMILES notation for (E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one?
The canonical SMILES for (E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one is CC/C(=C\C(C)=O)OCc1cnccn1.
What is the InChIKey of (E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one?
The InChIKey is KVUQNOUEBCTNJQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-11(6-9(2)14)15-8-10-7-12-4-5-13-10/h4-7H,3,8H2,1-2H3/b11-6+.
What are the key properties of (E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one?
(E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one is sourced from PubChem (CID 123707256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).