N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine

C15H15N3 — CID 60943145

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine
SMILESC1=CC2C(C1)CC2Nc1ccc2nccnc2c1
InChIInChI=1S/C15H15N3/c1-2-10-8-14(12(10)3-1)18-11-4-5-13-15(9-11)17-7-6-16-13/h1,3-7,9-10,12,14,18H,2,8H2
InChIKeyJIYORHRGLRRFFC-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.01
Rot. Bonds2

About N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine

N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine (PubChem CID 60943145) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine
PubChem CID60943145
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine
SMILESC1=CC2C(C1)CC2Nc1ccc2nccnc2c1
InChIInChI=1S/C15H15N3/c1-2-10-8-14(12(10)3-1)18-11-4-5-13-15(9-11)17-7-6-16-13/h1,3-7,9-10,12,14,18H,2,8H2
InChIKeyJIYORHRGLRRFFC-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine (CID 60943145) is N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine is C1=CC2C(C1)CC2Nc1ccc2nccnc2c1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine?
The InChIKey is JIYORHRGLRRFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-10-8-14(12(10)3-1)18-11-4-5-13-15(9-11)17-7-6-16-13/h1,3-7,9-10,12,14,18H,2,8H2.
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine has a molecular weight of 237.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine is sourced from PubChem (CID 60943145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).