1-(2,3-dihydropyridin-5-yl)ethanol

C7H11NO — CID 123819393

IUPAC1-(2,3-dihydropyridin-5-yl)ethanol
SMILESCC(O)C1=CCCN=C1
InChIInChI=1S/C7H11NO/c1-6(9)7-3-2-4-8-5-7/h3,5-6,9H,2,4H2,1H3
InChIKeyKYZHLOVOCVXNOT-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.77
Rot. Bonds1

About 1-(2,3-dihydropyridin-5-yl)ethanol

1-(2,3-dihydropyridin-5-yl)ethanol (PubChem CID 123819393) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-5-yl)ethanol
PubChem CID123819393
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(2,3-dihydropyridin-5-yl)ethanol
SMILESCC(O)C1=CCCN=C1
InChIInChI=1S/C7H11NO/c1-6(9)7-3-2-4-8-5-7/h3,5-6,9H,2,4H2,1H3
InChIKeyKYZHLOVOCVXNOT-UHFFFAOYSA-N
XLogP0.77
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-pyridin-1-ium-5-ylmethanol
CID 57006838
3H-pyridin-1-ium-4-ylmethanol
CID 57207297
1-(2H-pyrrol-3-yl)ethanol
CID 60139521
5-(hydroxymethyl)-3-methyl-2H-pyridin-3-ol
CID 68133145
(2R)-5-ethyl-2,3-dihydropyridin-2-ol
CID 88998011
(E)-2-(methyliminomethyl)pent-2-en-1-ol
CID 89029220
(E)-2-(methyliminomethyl)but-2-en-1-ol
CID 89088085
(2-Methyl-2,3-dihydropyridin-5-yl)methanol
CID 89130190
1-(2,3-Dihydropyridin-5-yl)propan-1-ol
CID 89150639
(2-methyl-2H-pyrrol-4-yl)methanol
CID 89319849
1-(2,3-Dihydropyridin-5-yl)but-3-en-1-ol
CID 121327394
5-Ethyl-2,3-dihydropyridin-2-ol
CID 123283874

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-5-yl)ethanol?
The IUPAC name of 1-(2,3-dihydropyridin-5-yl)ethanol (CID 123819393) is 1-(2,3-dihydropyridin-5-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydropyridin-5-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydropyridin-5-yl)ethanol is CC(O)C1=CCCN=C1.
What is the InChIKey of 1-(2,3-dihydropyridin-5-yl)ethanol?
The InChIKey is KYZHLOVOCVXNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(9)7-3-2-4-8-5-7/h3,5-6,9H,2,4H2,1H3.
What are the key properties of 1-(2,3-dihydropyridin-5-yl)ethanol?
1-(2,3-dihydropyridin-5-yl)ethanol has a molecular weight of 125.17 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-5-yl)ethanol is sourced from PubChem (CID 123819393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).