1,2,3,4-tetrahydropyridin-5-ol

C5H9NO — CID 154547342

IUPAC1,2,3,4-tetrahydropyridin-5-ol
SMILESOC1=CNCCC1
InChIInChI=1S/C5H9NO/c7-5-2-1-3-6-4-5/h4,6-7H,1-3H2
InChIKeyJMWOTVVCXFHHDF-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.77
Rot. Bonds

About 1,2,3,4-tetrahydropyridin-5-ol

1,2,3,4-tetrahydropyridin-5-ol (PubChem CID 154547342) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyridin-5-ol.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyridin-5-ol
PubChem CID154547342
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1,2,3,4-tetrahydropyridin-5-ol
SMILESOC1=CNCCC1
InChIInChI=1S/C5H9NO/c7-5-2-1-3-6-4-5/h4,6-7H,1-3H2
InChIKeyJMWOTVVCXFHHDF-UHFFFAOYSA-N
XLogP0.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyridin-5-ol?
The IUPAC name of 1,2,3,4-tetrahydropyridin-5-ol (CID 154547342) is 1,2,3,4-tetrahydropyridin-5-ol.
What is the SMILES notation for 1,2,3,4-tetrahydropyridin-5-ol?
The canonical SMILES for 1,2,3,4-tetrahydropyridin-5-ol is OC1=CNCCC1.
What is the InChIKey of 1,2,3,4-tetrahydropyridin-5-ol?
The InChIKey is JMWOTVVCXFHHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c7-5-2-1-3-6-4-5/h4,6-7H,1-3H2.
What are the key properties of 1,2,3,4-tetrahydropyridin-5-ol?
1,2,3,4-tetrahydropyridin-5-ol has a molecular weight of 99.13 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyridin-5-ol is sourced from PubChem (CID 154547342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).