(E)-N-(3-phenylpyrazin-2-yl)oxyethanimine

C12H11N3O — CID 127261341

IUPAC(E)-N-(3-phenylpyrazin-2-yl)oxyethanimine
SMILESC/C=N/Oc1nccnc1-c1ccccc1
InChIInChI=1S/C12H11N3O/c1-2-15-16-12-11(13-8-9-14-12)10-6-4-3-5-7-10/h2-9H,1H3/b15-2+
InChIKeyIGCIKZUNVDSTRQ-RSSMCMFDSA-N
MW213.24 g/mol
LogP2.53
Rot. Bonds3

About (E)-N-(3-phenylpyrazin-2-yl)oxyethanimine

(E)-N-(3-phenylpyrazin-2-yl)oxyethanimine (PubChem CID 127261341) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is (E)-N-(3-phenylpyrazin-2-yl)oxyethanimine.

Molecular Properties

Compound Name(E)-N-(3-phenylpyrazin-2-yl)oxyethanimine
PubChem CID127261341
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name(E)-N-(3-phenylpyrazin-2-yl)oxyethanimine
SMILESC/C=N/Oc1nccnc1-c1ccccc1
InChIInChI=1S/C12H11N3O/c1-2-15-16-12-11(13-8-9-14-12)10-6-4-3-5-7-10/h2-9H,1H3/b15-2+
InChIKeyIGCIKZUNVDSTRQ-RSSMCMFDSA-N
XLogP2.53
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-phenylpyrazin-2-yl)oxyethanimine?
The IUPAC name of (E)-N-(3-phenylpyrazin-2-yl)oxyethanimine (CID 127261341) is (E)-N-(3-phenylpyrazin-2-yl)oxyethanimine.
What is the SMILES notation for (E)-N-(3-phenylpyrazin-2-yl)oxyethanimine?
The canonical SMILES for (E)-N-(3-phenylpyrazin-2-yl)oxyethanimine is C/C=N/Oc1nccnc1-c1ccccc1.
What is the InChIKey of (E)-N-(3-phenylpyrazin-2-yl)oxyethanimine?
The InChIKey is IGCIKZUNVDSTRQ-RSSMCMFDSA-N. The full InChI is InChI=1S/C12H11N3O/c1-2-15-16-12-11(13-8-9-14-12)10-6-4-3-5-7-10/h2-9H,1H3/b15-2+.
What are the key properties of (E)-N-(3-phenylpyrazin-2-yl)oxyethanimine?
(E)-N-(3-phenylpyrazin-2-yl)oxyethanimine has a molecular weight of 213.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-phenylpyrazin-2-yl)oxyethanimine is sourced from PubChem (CID 127261341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).