ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane

C15H25NO — CID 143985757

IUPACethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane
SMILESC=C/C=C1/OC2(CCN(C)CC2)CC1=C.CC
InChIInChI=1S/C13H19NO.C2H6/c1-4-5-12-11(2)10-13(15-12)6-8-14(3)9-7-13;1-2/h4-5H,1-2,6-10H2,3H3;1-2H3/b12-5+;
InChIKeyXNAGGXBZLIECKH-NKPNRJPBSA-N
MW235.37 g/mol
LogP3.52
Rot. Bonds1

About ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane

ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane (PubChem CID 143985757) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane
PubChem CID143985757
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane
SMILESC=C/C=C1/OC2(CCN(C)CC2)CC1=C.CC
InChIInChI=1S/C13H19NO.C2H6/c1-4-5-12-11(2)10-13(15-12)6-8-14(3)9-7-13;1-2/h4-5H,1-2,6-10H2,3H3;1-2H3/b12-5+;
InChIKeyXNAGGXBZLIECKH-NKPNRJPBSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane (CID 143985757) is ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane is C=C/C=C1/OC2(CCN(C)CC2)CC1=C.CC.
What is the InChIKey of ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XNAGGXBZLIECKH-NKPNRJPBSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-4-5-12-11(2)10-13(15-12)6-8-14(3)9-7-13;1-2/h4-5H,1-2,6-10H2,3H3;1-2H3/b12-5+;.
What are the key properties of ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane?
ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 235.37 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 143985757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).