6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline

C10H14N2 — CID 90820488

IUPAC6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline
SMILESC=CC1CCC2=NCCN=C2C1
InChIInChI=1S/C10H14N2/c1-2-8-3-4-9-10(7-8)12-6-5-11-9/h2,8H,1,3-7H2
InChIKeyZNQARNNXLHMSFU-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.87
Rot. Bonds1

About 6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline

6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline (PubChem CID 90820488) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline.

Molecular Properties

Compound Name6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline
PubChem CID90820488
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline
SMILESC=CC1CCC2=NCCN=C2C1
InChIInChI=1S/C10H14N2/c1-2-8-3-4-9-10(7-8)12-6-5-11-9/h2,8H,1,3-7H2
InChIKeyZNQARNNXLHMSFU-UHFFFAOYSA-N
XLogP1.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4a,5,6,7-tetrahydro-2H-quinolin-8-imine
CID 57154891
2,4a,5,6,7,8-Hexahydroquinoline
CID 91181113
4,4a,5,6,7,8-Hexahydroquinoline
CID 126714288
5,6,7,8-tetrahydro-4aH-quinoline
CID 152782340
N-(2-methylpropyl)-2-prop-2-enylcyclohexan-1-imine
CID 85618073

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline?
The IUPAC name of 6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline (CID 90820488) is 6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline.
What is the SMILES notation for 6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline?
The canonical SMILES for 6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline is C=CC1CCC2=NCCN=C2C1.
What is the InChIKey of 6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline?
The InChIKey is ZNQARNNXLHMSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-8-3-4-9-10(7-8)12-6-5-11-9/h2,8H,1,3-7H2.
What are the key properties of 6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline?
6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline has a molecular weight of 162.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,3,5,6,7,8-hexahydroquinoxaline is sourced from PubChem (CID 90820488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).