3-ethoxy-2,3-dihydropyridine

C7H11NO — CID 123387428

IUPAC3-ethoxy-2,3-dihydropyridine
SMILESCCOC1C=CC=NC1
InChIInChI=1S/C7H11NO/c1-2-9-7-4-3-5-8-6-7/h3-5,7H,2,6H2,1H3
InChIKeyKDWOGYXNKOPEKN-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.03
Rot. Bonds2

About 3-ethoxy-2,3-dihydropyridine

3-ethoxy-2,3-dihydropyridine (PubChem CID 123387428) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-ethoxy-2,3-dihydropyridine.

Molecular Properties

Compound Name3-ethoxy-2,3-dihydropyridine
PubChem CID123387428
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-ethoxy-2,3-dihydropyridine
SMILESCCOC1C=CC=NC1
InChIInChI=1S/C7H11NO/c1-2-9-7-4-3-5-8-6-7/h3-5,7H,2,6H2,1H3
InChIKeyKDWOGYXNKOPEKN-UHFFFAOYSA-N
XLogP1.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,7S)-3,7-diethoxycycloheptene
CID 13244919
N-methyl-2,3-dihydropyridin-3-amine
CID 70630719
5-ethoxycyclohexa-1,3-diene-1-carboxylic acid
CID 123208544
1-(2,3-dihydropyridin-3-yl)-N-methylethanamine
CID 89183369
(5S)-5-ethoxy-2-methylcyclohexa-1,3-diene
CID 89420040
magnesium;5-ethoxycyclopenta-1,3-diene;hydride
CID 174744942
4-ethoxycyclohexa-1,5-dien-1-amine
CID 67628843
(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one
CID 91524353
4-ethoxy-3,4-dihydro-2H-pyrrole-2-carbonitrile
CID 543167
1-bromo-3-ethoxy-2-propoxycyclobutane
CID 107942786
(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
CID 153454980
2-ethoxy-2H-oxete
CID 175705413

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,3-dihydropyridine?
The IUPAC name of 3-ethoxy-2,3-dihydropyridine (CID 123387428) is 3-ethoxy-2,3-dihydropyridine.
What is the SMILES notation for 3-ethoxy-2,3-dihydropyridine?
The canonical SMILES for 3-ethoxy-2,3-dihydropyridine is CCOC1C=CC=NC1.
What is the InChIKey of 3-ethoxy-2,3-dihydropyridine?
The InChIKey is KDWOGYXNKOPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-9-7-4-3-5-8-6-7/h3-5,7H,2,6H2,1H3.
What are the key properties of 3-ethoxy-2,3-dihydropyridine?
3-ethoxy-2,3-dihydropyridine has a molecular weight of 125.17 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,3-dihydropyridine is sourced from PubChem (CID 123387428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).