6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene

C10H12N2 — CID 142020152

IUPAC6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene
SMILESC=CC1=CC2(C=C1)N=C(CC)N2
InChIInChI=1S/C10H12N2/c1-3-8-5-6-10(7-8)11-9(4-2)12-10/h3,5-7H,1,4H2,2H3,(H,11,12)
InChIKeyYVWFQCOFXDPEOC-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.78
Rot. Bonds2

About 6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene

6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene (PubChem CID 142020152) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene.

Molecular Properties

Compound Name6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene
PubChem CID142020152
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene
SMILESC=CC1=CC2(C=C1)N=C(CC)N2
InChIInChI=1S/C10H12N2/c1-3-8-5-6-10(7-8)11-9(4-2)12-10/h3,5-7H,1,4H2,2H3,(H,11,12)
InChIKeyYVWFQCOFXDPEOC-UHFFFAOYSA-N
XLogP1.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene?
The IUPAC name of 6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene (CID 142020152) is 6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene.
What is the SMILES notation for 6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene?
The canonical SMILES for 6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene is C=CC1=CC2(C=C1)N=C(CC)N2.
What is the InChIKey of 6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene?
The InChIKey is YVWFQCOFXDPEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-8-5-6-10(7-8)11-9(4-2)12-10/h3,5-7H,1,4H2,2H3,(H,11,12).
What are the key properties of 6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene?
6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene has a molecular weight of 160.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene is sourced from PubChem (CID 142020152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).