(9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane

C17H26FN — CID 130371386

IUPAC(9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane
SMILESC=C1CC2(CC/C1=C/C(F)=C\CC)CCN(C)CC2
InChIInChI=1S/C17H26FN/c1-4-5-16(18)12-15-6-7-17(13-14(15)2)8-10-19(3)11-9-17/h5,12H,2,4,6-11,13H2,1,3H3/b15-12-,16-5+
InChIKeyMDRZICOQDMTOMF-GJFCQGFISA-N
MW263.40 g/mol
LogP4.63
Rot. Bonds2

About (9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane

(9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane (PubChem CID 130371386) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is (9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane
PubChem CID130371386
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name(9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane
SMILESC=C1CC2(CC/C1=C/C(F)=C\CC)CCN(C)CC2
InChIInChI=1S/C17H26FN/c1-4-5-16(18)12-15-6-7-17(13-14(15)2)8-10-19(3)11-9-17/h5,12H,2,4,6-11,13H2,1,3H3/b15-12-,16-5+
InChIKeyMDRZICOQDMTOMF-GJFCQGFISA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane?
The IUPAC name of (9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane (CID 130371386) is (9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane.
What is the SMILES notation for (9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane?
The canonical SMILES for (9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane is C=C1CC2(CC/C1=C/C(F)=C\CC)CCN(C)CC2.
What is the InChIKey of (9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane?
The InChIKey is MDRZICOQDMTOMF-GJFCQGFISA-N. The full InChI is InChI=1S/C17H26FN/c1-4-5-16(18)12-15-6-7-17(13-14(15)2)8-10-19(3)11-9-17/h5,12H,2,4,6-11,13H2,1,3H3/b15-12-,16-5+.
What are the key properties of (9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane?
(9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane has a molecular weight of 263.40 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane is sourced from PubChem (CID 130371386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).