3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine

C7H13NO — CID 70224791

IUPAC3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine
SMILESCCC1CC=CN(O)C1
InChIInChI=1S/C7H13NO/c1-2-7-4-3-5-8(9)6-7/h3,5,7,9H,2,4,6H2,1H3
InChIKeyKUINAIGBBBVRTG-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.62
Rot. Bonds1

About 3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine

3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine (PubChem CID 70224791) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine
PubChem CID70224791
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine
SMILESCCC1CC=CN(O)C1
InChIInChI=1S/C7H13NO/c1-2-7-4-3-5-8(9)6-7/h3,5,7,9H,2,4,6H2,1H3
InChIKeyKUINAIGBBBVRTG-UHFFFAOYSA-N
XLogP1.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine?
The IUPAC name of 3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine (CID 70224791) is 3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine?
The canonical SMILES for 3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine is CCC1CC=CN(O)C1.
What is the InChIKey of 3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine?
The InChIKey is KUINAIGBBBVRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7-4-3-5-8(9)6-7/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of 3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine?
3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine has a molecular weight of 127.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 70224791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).