(3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline

C12H14N2 — CID 88547834

IUPAC(3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline
SMILESC/C=C\C=C1/CN=C2CCC=CC2=N1
InChIInChI=1S/C12H14N2/c1-2-3-6-10-9-13-11-7-4-5-8-12(11)14-10/h2-3,5-6,8H,4,7,9H2,1H3/b3-2-,10-6+
InChIKeyRYDGTWOLDYMYRC-BWFNYKPYSA-N
MW186.26 g/mol
LogP2.69
Rot. Bonds1

About (3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline

(3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline (PubChem CID 88547834) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline.

Molecular Properties

Compound Name(3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline
PubChem CID88547834
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline
SMILESC/C=C\C=C1/CN=C2CCC=CC2=N1
InChIInChI=1S/C12H14N2/c1-2-3-6-10-9-13-11-7-4-5-8-12(11)14-10/h2-3,5-6,8H,4,7,9H2,1H3/b3-2-,10-6+
InChIKeyRYDGTWOLDYMYRC-BWFNYKPYSA-N
XLogP2.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline?
The IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline (CID 88547834) is (3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline.
What is the SMILES notation for (3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline?
The canonical SMILES for (3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline is C/C=C\C=C1/CN=C2CCC=CC2=N1.
What is the InChIKey of (3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline?
The InChIKey is RYDGTWOLDYMYRC-BWFNYKPYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-3-6-10-9-13-11-7-4-5-8-12(11)14-10/h2-3,5-6,8H,4,7,9H2,1H3/b3-2-,10-6+.
What are the key properties of (3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline?
(3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline has a molecular weight of 186.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline is sourced from PubChem (CID 88547834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).