6-(2-methoxyethyl)-2,3-dihydropyridine

C8H13NO — CID 143505216

IUPAC6-(2-methoxyethyl)-2,3-dihydropyridine
SMILESCOCCC1=NCCC=C1
InChIInChI=1S/C8H13NO/c1-10-7-5-8-4-2-3-6-9-8/h2,4H,3,5-7H2,1H3
InChIKeyVMDKFOYTMPOOEU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.42
Rot. Bonds3

About 6-(2-methoxyethyl)-2,3-dihydropyridine

6-(2-methoxyethyl)-2,3-dihydropyridine (PubChem CID 143505216) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(2-methoxyethyl)-2,3-dihydropyridine
PubChem CID143505216
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-(2-methoxyethyl)-2,3-dihydropyridine
SMILESCOCCC1=NCCC=C1
InChIInChI=1S/C8H13NO/c1-10-7-5-8-4-2-3-6-9-8/h2,4H,3,5-7H2,1H3
InChIKeyVMDKFOYTMPOOEU-UHFFFAOYSA-N
XLogP1.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117838391
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CID 121480648
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CID 124021922
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CID 141123676
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CID 142059756
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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-2,3-dihydropyridine?
The IUPAC name of 6-(2-methoxyethyl)-2,3-dihydropyridine (CID 143505216) is 6-(2-methoxyethyl)-2,3-dihydropyridine.
What is the SMILES notation for 6-(2-methoxyethyl)-2,3-dihydropyridine?
The canonical SMILES for 6-(2-methoxyethyl)-2,3-dihydropyridine is COCCC1=NCCC=C1.
What is the InChIKey of 6-(2-methoxyethyl)-2,3-dihydropyridine?
The InChIKey is VMDKFOYTMPOOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-7-5-8-4-2-3-6-9-8/h2,4H,3,5-7H2,1H3.
What are the key properties of 6-(2-methoxyethyl)-2,3-dihydropyridine?
6-(2-methoxyethyl)-2,3-dihydropyridine has a molecular weight of 139.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-2,3-dihydropyridine is sourced from PubChem (CID 143505216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).