2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline

C16H16N2 — CID 134863300

IUPAC2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline
SMILESC(=C/C1CNc2ccccc2N1)\c1ccccc1
InChIInChI=1S/C16H16N2/c1-2-6-13(7-3-1)10-11-14-12-17-15-8-4-5-9-16(15)18-14/h1-11,14,17-18H,12H2/b11-10+
InChIKeyLDMYLKYKMVSFGA-ZHACJKMWSA-N
MW236.32 g/mol
LogP3.61
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline

2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline (PubChem CID 134863300) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline
PubChem CID134863300
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline
SMILESC(=C/C1CNc2ccccc2N1)\c1ccccc1
InChIInChI=1S/C16H16N2/c1-2-6-13(7-3-1)10-11-14-12-17-15-8-4-5-9-16(15)18-14/h1-11,14,17-18H,12H2/b11-10+
InChIKeyLDMYLKYKMVSFGA-ZHACJKMWSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline (CID 134863300) is 2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline is C(=C/C1CNc2ccccc2N1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is LDMYLKYKMVSFGA-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-6-13(7-3-1)10-11-14-12-17-15-8-4-5-9-16(15)18-14/h1-11,14,17-18H,12H2/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline?
2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 236.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 134863300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).