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

C8H13NO2 — CID 143520524

IUPAC2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde
SMILESCCC1CC(O)C=CN1C=O
InChIInChI=1S/C8H13NO2/c1-2-7-5-8(11)3-4-9(7)6-10/h3-4,6-8,11H,2,5H2,1H3
InChIKeyJKWKXZXNZOIQRW-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.50
Rot. Bonds2

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

2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 143520524) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID143520524
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde
SMILESCCC1CC(O)C=CN1C=O
InChIInChI=1S/C8H13NO2/c1-2-7-5-8(11)3-4-9(7)6-10/h3-4,6-8,11H,2,5H2,1H3
InChIKeyJKWKXZXNZOIQRW-UHFFFAOYSA-N
XLogP0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1R,4R)-4-ethylcyclopent-2-en-1-ol
CID 12026726
(3R)-2-acetyl-3-ethyl-4-hydroxypyrrolidine-1-carbaldehyde
CID 143361887
6-ethyl-4-[(E)-prop-1-enyl]cyclohepta-2,4-dien-1-ol
CID 130413034
(2R)-2-ethylpyrrolidine-1-carbaldehyde
CID 59526694
5-ethyl-1-methylpyrrolidin-2-ol
CID 178147452
3,4-diethylcyclopentan-1-ol;formic acid
CID 174659465
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol
CID 71400880
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde
CID 59911440
4-(hydroxymethyl)cyclopent-2-en-1-ol
CID 14020426
(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde (CID 143520524) is 2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde is CCC1CC(O)C=CN1C=O.
What is the InChIKey of 2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is JKWKXZXNZOIQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-7-5-8(11)3-4-9(7)6-10/h3-4,6-8,11H,2,5H2,1H3.
What are the key properties of 2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde?
2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 155.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-3,4-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 143520524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).