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

C14H24N2 — CID 142020151

IUPACethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene
SMILESC=CC1=CC2(C=C1)N=C(CC)N2.CC.CC
InChIInChI=1S/C10H12N2.2C2H6/c1-3-8-5-6-10(7-8)11-9(4-2)12-10;2*1-2/h3,5-7H,1,4H2,2H3,(H,11,12);2*1-2H3
InChIKeyMUONLBDKDJBPOB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.83
Rot. Bonds2

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

ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene (PubChem CID 142020151) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene.

Molecular Properties

Compound Nameethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene
PubChem CID142020151
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene
SMILESC=CC1=CC2(C=C1)N=C(CC)N2.CC.CC
InChIInChI=1S/C10H12N2.2C2H6/c1-3-8-5-6-10(7-8)11-9(4-2)12-10;2*1-2/h3,5-7H,1,4H2,2H3,(H,11,12);2*1-2H3
InChIKeyMUONLBDKDJBPOB-UHFFFAOYSA-N
XLogP3.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-[(Z)-2-methylbut-1-enyl]-1H-1,3-diazete
CID 90760499
6-Ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene
CID 142020152

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene?
The IUPAC name of ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene (CID 142020151) is ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene.
What is the SMILES notation for ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene?
The canonical SMILES for ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene is C=CC1=CC2(C=C1)N=C(CC)N2.CC.CC.
What is the InChIKey of ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene?
The InChIKey is MUONLBDKDJBPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6/c1-3-8-5-6-10(7-8)11-9(4-2)12-10;2*1-2/h3,5-7H,1,4H2,2H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene?
ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene has a molecular weight of 220.36 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-2-ethyl-1,3-diazaspiro[3.4]octa-2,5,7-triene is sourced from PubChem (CID 142020151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).