1H-pyrazin-2-ylidenemethanone

C5H4N2O — CID 87556736

IUPAC1H-pyrazin-2-ylidenemethanone
SMILESO=C=C1C=NC=CN1
InChIInChI=1S/C5H4N2O/c8-4-5-3-6-1-2-7-5/h1-3,7H
InChIKeyCXKCCHSCRPWBTC-UHFFFAOYSA-N
MW108.10 g/mol
LogP-0.15
Rot. Bonds

About 1H-pyrazin-2-ylidenemethanone

1H-pyrazin-2-ylidenemethanone (PubChem CID 87556736) has the molecular formula C5H4N2O and a molecular weight of 108.10 g/mol. Its IUPAC name is 1H-pyrazin-2-ylidenemethanone.

Molecular Properties

Compound Name1H-pyrazin-2-ylidenemethanone
PubChem CID87556736
Molecular FormulaC5H4N2O
Molecular Weight108.10 g/mol
Exact Mass108.03
IUPAC Name1H-pyrazin-2-ylidenemethanone
SMILESO=C=C1C=NC=CN1
InChIInChI=1S/C5H4N2O/c8-4-5-3-6-1-2-7-5/h1-3,7H
InChIKeyCXKCCHSCRPWBTC-UHFFFAOYSA-N
XLogP-0.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methylene-1,6-dihydropyrazine
CID 21133515
2-methylidene-1H-pyrazine
CID 136746165

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazin-2-ylidenemethanone?
The IUPAC name of 1H-pyrazin-2-ylidenemethanone (CID 87556736) is 1H-pyrazin-2-ylidenemethanone.
What is the SMILES notation for 1H-pyrazin-2-ylidenemethanone?
The canonical SMILES for 1H-pyrazin-2-ylidenemethanone is O=C=C1C=NC=CN1.
What is the InChIKey of 1H-pyrazin-2-ylidenemethanone?
The InChIKey is CXKCCHSCRPWBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O/c8-4-5-3-6-1-2-7-5/h1-3,7H.
What are the key properties of 1H-pyrazin-2-ylidenemethanone?
1H-pyrazin-2-ylidenemethanone has a molecular weight of 108.10 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazin-2-ylidenemethanone is sourced from PubChem (CID 87556736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).