(7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine

C12H18N2O — CID 134487085

IUPAC(7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine
SMILESC=C/C=C1/OCCC2CNCCN2C1=C
InChIInChI=1S/C12H18N2O/c1-3-4-12-10(2)14-7-6-13-9-11(14)5-8-15-12/h3-4,11,13H,1-2,5-9H2/b12-4+
InChIKeyQYVYYMUWZXFERZ-UUILKARUSA-N
MW206.29 g/mol
LogP1.26
Rot. Bonds1

About (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine

(7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine (PubChem CID 134487085) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine.

Molecular Properties

Compound Name(7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine
PubChem CID134487085
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine
SMILESC=C/C=C1/OCCC2CNCCN2C1=C
InChIInChI=1S/C12H18N2O/c1-3-4-12-10(2)14-7-6-13-9-11(14)5-8-15-12/h3-4,11,13H,1-2,5-9H2/b12-4+
InChIKeyQYVYYMUWZXFERZ-UUILKARUSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine with MolForge

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Launch Full Analysis

Related Compounds

ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
CID 145202705
(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
CID 145202706
(1E)-1-(3-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-yl)buta-1,3-dien-2-amine
CID 155695019

Frequently Asked Questions

What is the IUPAC name of (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine?
The IUPAC name of (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine (CID 134487085) is (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine.
What is the SMILES notation for (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine?
The canonical SMILES for (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine is C=C/C=C1/OCCC2CNCCN2C1=C.
What is the InChIKey of (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine?
The InChIKey is QYVYYMUWZXFERZ-UUILKARUSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-12-10(2)14-7-6-13-9-11(14)5-8-15-12/h3-4,11,13H,1-2,5-9H2/b12-4+.
What are the key properties of (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine?
(7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine has a molecular weight of 206.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-6-methylidene-7-prop-2-enylidene-2,3,4,9,10,10a-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine is sourced from PubChem (CID 134487085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).