5-ethoxy-1,2-dihydropyridine

C7H11NO — CID 22318760

IUPAC5-ethoxy-1,2-dihydropyridine
SMILESCCOC1=CNCC=C1
InChIInChI=1S/C7H11NO/c1-2-9-7-4-3-5-8-6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyYEGBJEDUNZXPFS-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.02
Rot. Bonds2

About 5-ethoxy-1,2-dihydropyridine

5-ethoxy-1,2-dihydropyridine (PubChem CID 22318760) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-ethoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name5-ethoxy-1,2-dihydropyridine
PubChem CID22318760
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-ethoxy-1,2-dihydropyridine
SMILESCCOC1=CNCC=C1
InChIInChI=1S/C7H11NO/c1-2-9-7-4-3-5-8-6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyYEGBJEDUNZXPFS-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-1,2-dihydropyridine
CID 17887843
2,4-Dimethoxy-1,2-dihydropyridine
CID 18619805
2,5-Dimethoxy-1,2-dihydropyridine
CID 18619813
2,6-Dimethoxy-1,2-dihydropyridine
CID 18619815
5-Methoxy-1,2-dihydropyridine
CID 19045914
4-Methoxy-1,2-dihydropyridine
CID 19045948
3-methoxy-1H-azepine
CID 19710579
5-Methoxy-1,2-dihydropyridin-1-ium
CID 53730843
4-Methoxy-1,2-dihydropyridin-1-ium
CID 53939719
4-ethoxy-N-methylbut-2-en-1-amine
CID 54528970
(E)-4-ethoxy-N-methylbut-2-en-1-amine
CID 57436604
N-methyl-2H-pyran-2-amine
CID 69578943

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,2-dihydropyridine?
The IUPAC name of 5-ethoxy-1,2-dihydropyridine (CID 22318760) is 5-ethoxy-1,2-dihydropyridine.
What is the SMILES notation for 5-ethoxy-1,2-dihydropyridine?
The canonical SMILES for 5-ethoxy-1,2-dihydropyridine is CCOC1=CNCC=C1.
What is the InChIKey of 5-ethoxy-1,2-dihydropyridine?
The InChIKey is YEGBJEDUNZXPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-9-7-4-3-5-8-6-7/h3-4,6,8H,2,5H2,1H3.
What are the key properties of 5-ethoxy-1,2-dihydropyridine?
5-ethoxy-1,2-dihydropyridine has a molecular weight of 125.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,2-dihydropyridine is sourced from PubChem (CID 22318760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).