[5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone

C11H10N2O3 — CID 57268529

IUPAC[5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone
SMILESO=C=C1OCC=CC1OCc1cnccn1
InChIInChI=1S/C11H10N2O3/c14-7-11-10(2-1-5-15-11)16-8-9-6-12-3-4-13-9/h1-4,6,10H,5,8H2
InChIKeyRYXLOBWMYRPYBJ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.66
Rot. Bonds3

About [5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone

[5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone (PubChem CID 57268529) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is [5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone.

Molecular Properties

Compound Name[5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone
PubChem CID57268529
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name[5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone
SMILESO=C=C1OCC=CC1OCc1cnccn1
InChIInChI=1S/C11H10N2O3/c14-7-11-10(2-1-5-15-11)16-8-9-6-12-3-4-13-9/h1-4,6,10H,5,8H2
InChIKeyRYXLOBWMYRPYBJ-UHFFFAOYSA-N
XLogP0.66
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-Dioxan-2-yl)pyrazine
CID 67225701
2-[(2S)-1,4-dioxan-2-yl]pyrazine
CID 135043769
5-[(2S)-1,4-dioxan-2-yl]-2,3-dimethylpyrazine
CID 135044773
2-(2H-pyran-6-yl)pyrazine
CID 91255487
(E)-4-(pyrazin-2-ylmethoxy)hex-3-en-2-one
CID 123707256
2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrazine
CID 144515494
5-(1,4-Dioxan-2-yl)-2,3-dimethylpyrazine
CID 156770960
2-(2H-pyran-2-yl)pyrazine
CID 173011650
3-(pyrazin-2-ylmethoxy)-2H-pyran-2-carbaldehyde
CID 173203994
2-(2-Methoxyethoxymethyl)pyrazine
CID 174759698
2-(3-Prop-2-enyl-1,4-dioxin-2-yl)pyrazine
CID 175265567

Frequently Asked Questions

What is the IUPAC name of [5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone?
The IUPAC name of [5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone (CID 57268529) is [5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone.
What is the SMILES notation for [5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone?
The canonical SMILES for [5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone is O=C=C1OCC=CC1OCc1cnccn1.
What is the InChIKey of [5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone?
The InChIKey is RYXLOBWMYRPYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-7-11-10(2-1-5-15-11)16-8-9-6-12-3-4-13-9/h1-4,6,10H,5,8H2.
What are the key properties of [5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone?
[5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone has a molecular weight of 218.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyrazin-2-ylmethoxy)-2,5-dihydropyran-6-ylidene]methanone is sourced from PubChem (CID 57268529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).