(12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one

C12H18N2O — CID 90136318

IUPAC(12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one
SMILESC=C1/C=C2/C(=O)NCCN2CCCCC1
InChIInChI=1S/C12H18N2O/c1-10-5-3-2-4-7-14-8-6-13-12(15)11(14)9-10/h9H,1-8H2,(H,13,15)/b11-9-
InChIKeyJPSSCGDLXFHPLD-LUAWRHEFSA-N
MW206.29 g/mol
LogP1.43
Rot. Bonds

About (12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one

(12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one (PubChem CID 90136318) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one.

Molecular Properties

Compound Name(12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one
PubChem CID90136318
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one
SMILESC=C1/C=C2/C(=O)NCCN2CCCCC1
InChIInChI=1S/C12H18N2O/c1-10-5-3-2-4-7-14-8-6-13-12(15)11(14)9-10/h9H,1-8H2,(H,13,15)/b11-9-
InChIKeyJPSSCGDLXFHPLD-LUAWRHEFSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one?
The IUPAC name of (12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one (CID 90136318) is (12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one.
What is the SMILES notation for (12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one?
The canonical SMILES for (12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one is C=C1/C=C2/C(=O)NCCN2CCCCC1.
What is the InChIKey of (12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one?
The InChIKey is JPSSCGDLXFHPLD-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-5-3-2-4-7-14-8-6-13-12(15)11(14)9-10/h9H,1-8H2,(H,13,15)/b11-9-.
What are the key properties of (12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one?
(12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one has a molecular weight of 206.29 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-11-methylidene-2,3,4,6,7,8,9,10-octahydropyrazino[1,2-a]azonin-1-one is sourced from PubChem (CID 90136318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).