ethane;6-methoxy-1,2-dihydropyridine

C8H15NO — CID 143563479

IUPACethane;6-methoxy-1,2-dihydropyridine
SMILESCC.COC1=CC=CCN1
InChIInChI=1S/C6H9NO.C2H6/c1-8-6-4-2-3-5-7-6;1-2/h2-4,7H,5H2,1H3;1-2H3
InChIKeyHDXGZHYZHAVIJC-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.66
Rot. Bonds1

About ethane;6-methoxy-1,2-dihydropyridine

ethane;6-methoxy-1,2-dihydropyridine (PubChem CID 143563479) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;6-methoxy-1,2-dihydropyridine.

Molecular Properties

Compound Nameethane;6-methoxy-1,2-dihydropyridine
PubChem CID143563479
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;6-methoxy-1,2-dihydropyridine
SMILESCC.COC1=CC=CCN1
InChIInChI=1S/C6H9NO.C2H6/c1-8-6-4-2-3-5-7-6;1-2/h2-4,7H,5H2,1H3;1-2H3
InChIKeyHDXGZHYZHAVIJC-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-1,2-dihydropyridine?
The IUPAC name of ethane;6-methoxy-1,2-dihydropyridine (CID 143563479) is ethane;6-methoxy-1,2-dihydropyridine.
What is the SMILES notation for ethane;6-methoxy-1,2-dihydropyridine?
The canonical SMILES for ethane;6-methoxy-1,2-dihydropyridine is CC.COC1=CC=CCN1.
What is the InChIKey of ethane;6-methoxy-1,2-dihydropyridine?
The InChIKey is HDXGZHYZHAVIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-8-6-4-2-3-5-7-6;1-2/h2-4,7H,5H2,1H3;1-2H3.
What are the key properties of ethane;6-methoxy-1,2-dihydropyridine?
ethane;6-methoxy-1,2-dihydropyridine has a molecular weight of 141.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-1,2-dihydropyridine is sourced from PubChem (CID 143563479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).