ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium

C10H18NO2+ — CID 142287669

IUPACethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium
SMILESCC.COC1COC2C=CC=C[NH+]21
InChIInChI=1S/C8H11NO2.C2H6/c1-10-8-6-11-7-4-2-3-5-9(7)8;1-2/h2-5,7-8H,6H2,1H3;1-2H3/p+1
InChIKeyJCNAIGABDVSCPB-UHFFFAOYSA-O
MW184.26 g/mol
LogP0.31
Rot. Bonds1

About ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium

ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium (PubChem CID 142287669) has the molecular formula C10H18NO2+ and a molecular weight of 184.26 g/mol. Its IUPAC name is ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium.

Molecular Properties

Compound Nameethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium
PubChem CID142287669
Molecular FormulaC10H18NO2+
Molecular Weight184.26 g/mol
Exact Mass184.13
IUPAC Nameethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium
SMILESCC.COC1COC2C=CC=C[NH+]21
InChIInChI=1S/C8H11NO2.C2H6/c1-10-8-6-11-7-4-2-3-5-9(7)8;1-2/h2-5,7-8H,6H2,1H3;1-2H3/p+1
InChIKeyJCNAIGABDVSCPB-UHFFFAOYSA-O
XLogP0.31
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium with MolForge

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Related Compounds

Ethane;3-methoxy-7-(trifluoromethyl)-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium;sulfane
CID 142287664
3,8-Dimethoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium;ethane;sulfane
CID 142287652
(5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonin-4-ium
CID 142287659
2-(2-Pyrrolidin-1-ylethoxy)-1,2-dihydropyridine
CID 144125909
2-(1-Methylpyrrolidin-3-yl)oxy-1,2-dihydropyridine
CID 173024567
(5Z,7Z)-3-methoxy-2,3,4,9-tetrahydro-1,4-oxazonine
CID 142287660
3-methoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 142287670

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium?
The IUPAC name of ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium (CID 142287669) is ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium.
What is the SMILES notation for ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium?
The canonical SMILES for ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium is CC.COC1COC2C=CC=C[NH+]21.
What is the InChIKey of ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium?
The InChIKey is JCNAIGABDVSCPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11NO2.C2H6/c1-10-8-6-11-7-4-2-3-5-9(7)8;1-2/h2-5,7-8H,6H2,1H3;1-2H3/p+1.
What are the key properties of ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium?
ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium has a molecular weight of 184.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium is sourced from PubChem (CID 142287669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).