4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene

C15H25NO — CID 143782132

IUPAC4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene
SMILESC=CC.C=CC1=C(C)OCC12CCN(C)CC2
InChIInChI=1S/C12H19NO.C3H6/c1-4-11-10(2)14-9-12(11)5-7-13(3)8-6-12;1-3-2/h4H,1,5-9H2,2-3H3;3H,1H2,2H3
InChIKeyCKZFGYWLOHAGIT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.38
Rot. Bonds1

About 4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene

4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene (PubChem CID 143782132) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene.

Molecular Properties

Compound Name4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene
PubChem CID143782132
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene
SMILESC=CC.C=CC1=C(C)OCC12CCN(C)CC2
InChIInChI=1S/C12H19NO.C3H6/c1-4-11-10(2)14-9-12(11)5-7-13(3)8-6-12;1-3-2/h4H,1,5-9H2,2-3H3;3H,1H2,2H3
InChIKeyCKZFGYWLOHAGIT-UHFFFAOYSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
The IUPAC name of 4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene (CID 143782132) is 4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene.
What is the SMILES notation for 4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
The canonical SMILES for 4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene is C=CC.C=CC1=C(C)OCC12CCN(C)CC2.
What is the InChIKey of 4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
The InChIKey is CKZFGYWLOHAGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C3H6/c1-4-11-10(2)14-9-12(11)5-7-13(3)8-6-12;1-3-2/h4H,1,5-9H2,2-3H3;3H,1H2,2H3.
What are the key properties of 4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene?
4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene has a molecular weight of 235.37 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,8-dimethyl-2-oxa-8-azaspiro[4.5]dec-3-ene;prop-1-ene is sourced from PubChem (CID 143782132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).