3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene

C12H17NO — CID 123188135

IUPAC3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC=CC1=C(C=C)C2(CCNCC2)CO1
InChIInChI=1S/C12H17NO/c1-3-10-11(4-2)14-9-12(10)5-7-13-8-6-12/h3-4,13H,1-2,5-9H2
InChIKeyVSIGBJCMKDVLCY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.01
Rot. Bonds2

About 3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene

3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 123188135) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID123188135
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene
SMILESC=CC1=C(C=C)C2(CCNCC2)CO1
InChIInChI=1S/C12H17NO/c1-3-10-11(4-2)14-9-12(10)5-7-13-8-6-12/h3-4,13H,1-2,5-9H2
InChIKeyVSIGBJCMKDVLCY-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene (CID 123188135) is 3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene is C=CC1=C(C=C)C2(CCNCC2)CO1.
What is the InChIKey of 3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is VSIGBJCMKDVLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-10-11(4-2)14-9-12(10)5-7-13-8-6-12/h3-4,13H,1-2,5-9H2.
What are the key properties of 3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene?
3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 191.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 123188135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).