(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine

C12H17NO — CID 145474103

IUPAC(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
SMILESC=C/C=C1/OC2(CCC2)CC(N)C1=C
InChIInChI=1S/C12H17NO/c1-3-5-11-9(2)10(13)8-12(14-11)6-4-7-12/h3,5,10H,1-2,4,6-8,13H2/b11-5+
InChIKeyLXDSBPXEYCDQGK-VZUCSPMQSA-N
MW191.27 g/mol
LogP2.28
Rot. Bonds1

About (6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine

(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 145474103) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound Name(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
PubChem CID145474103
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
SMILESC=C/C=C1/OC2(CCC2)CC(N)C1=C
InChIInChI=1S/C12H17NO/c1-3-5-11-9(2)10(13)8-12(14-11)6-4-7-12/h3,5,10H,1-2,4,6-8,13H2/b11-5+
InChIKeyLXDSBPXEYCDQGK-VZUCSPMQSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of (6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine (CID 145474103) is (6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for (6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for (6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine is C=C/C=C1/OC2(CCC2)CC(N)C1=C.
What is the InChIKey of (6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is LXDSBPXEYCDQGK-VZUCSPMQSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-5-11-9(2)10(13)8-12(14-11)6-4-7-12/h3,5,10H,1-2,4,6-8,13H2/b11-5+.
What are the key properties of (6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine?
(6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 191.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7-methylidene-6-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 145474103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).