(5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium

C8H14NO2+ — CID 142287659

IUPAC(5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium
SMILESCOC1COC/C=C\C=C/[NH2+]1
InChIInChI=1S/C8H13NO2/c1-10-8-7-11-6-4-2-3-5-9-8/h2-5,8-9H,6-7H2,1H3/p+1/b4-2-,5-3-
InChIKeySOIYFLGGWJBRIE-JVLMNHKTSA-O
MW156.20 g/mol
LogP-0.38
Rot. Bonds1

About (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium

(5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium (PubChem CID 142287659) has the molecular formula C8H14NO2+ and a molecular weight of 156.20 g/mol. Its IUPAC name is (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium.

Molecular Properties

Compound Name(5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium
PubChem CID142287659
Molecular FormulaC8H14NO2+
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name(5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium
SMILESCOC1COC/C=C\C=C/[NH2+]1
InChIInChI=1S/C8H13NO2/c1-10-8-7-11-6-4-2-3-5-9-8/h2-5,8-9H,6-7H2,1H3/p+1/b4-2-,5-3-
InChIKeySOIYFLGGWJBRIE-JVLMNHKTSA-O
XLogP-0.38
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium with MolForge

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Related Compounds

(2S)-2-(2-methoxyethoxy)-1,2-dihydropyridine
CID 68320761
2-(2-Methoxyethoxy)-1,2-dihydropyridine
CID 77478651
Ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium
CID 142287669
ethane;(5Z,7Z)-3-methoxy-7-methyl-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium;sulfane
CID 142287671
3-Ethoxy-2-methoxy-1,2-dihydropyridine
CID 173058050
2-Ethoxy-3-propoxy-1,2-dihydropyridine
CID 173058117
2-Methoxy-3-propoxy-1,2-dihydropyridine
CID 173058141
2,3-Diethoxy-1,2-dihydropyridine
CID 173058163
(5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonine
CID 142287660
(5Z,7Z)-3-methoxy-7-methyl-2,3,4,9-tetrahydro-1,4-oxazonine
CID 142287672

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium?
The IUPAC name of (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium (CID 142287659) is (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium.
What is the SMILES notation for (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium?
The canonical SMILES for (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium is COC1COC/C=C\C=C/[NH2+]1.
What is the InChIKey of (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium?
The InChIKey is SOIYFLGGWJBRIE-JVLMNHKTSA-O. The full InChI is InChI=1S/C8H13NO2/c1-10-8-7-11-6-4-2-3-5-9-8/h2-5,8-9H,6-7H2,1H3/p+1/b4-2-,5-3-.
What are the key properties of (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium?
(5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium has a molecular weight of 156.20 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium is sourced from PubChem (CID 142287659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).