5-tert-butyl-1,2-dihydropyridin-2-ol

C9H15NO — CID 122428287

IUPAC5-tert-butyl-1,2-dihydropyridin-2-ol
SMILESCC(C)(C)C1=CNC(O)C=C1
InChIInChI=1S/C9H15NO/c1-9(2,3)7-4-5-8(11)10-6-7/h4-6,8,10-11H,1-3H3
InChIKeyAUXPRLNKROBYJR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.39
Rot. Bonds

About 5-tert-butyl-1,2-dihydropyridin-2-ol

5-tert-butyl-1,2-dihydropyridin-2-ol (PubChem CID 122428287) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dihydropyridin-2-ol.

Molecular Properties

Compound Name5-tert-butyl-1,2-dihydropyridin-2-ol
PubChem CID122428287
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-tert-butyl-1,2-dihydropyridin-2-ol
SMILESCC(C)(C)C1=CNC(O)C=C1
InChIInChI=1S/C9H15NO/c1-9(2,3)7-4-5-8(11)10-6-7/h4-6,8,10-11H,1-3H3
InChIKeyAUXPRLNKROBYJR-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dihydropyridin-2-ol?
The IUPAC name of 5-tert-butyl-1,2-dihydropyridin-2-ol (CID 122428287) is 5-tert-butyl-1,2-dihydropyridin-2-ol.
What is the SMILES notation for 5-tert-butyl-1,2-dihydropyridin-2-ol?
The canonical SMILES for 5-tert-butyl-1,2-dihydropyridin-2-ol is CC(C)(C)C1=CNC(O)C=C1.
What is the InChIKey of 5-tert-butyl-1,2-dihydropyridin-2-ol?
The InChIKey is AUXPRLNKROBYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)7-4-5-8(11)10-6-7/h4-6,8,10-11H,1-3H3.
What are the key properties of 5-tert-butyl-1,2-dihydropyridin-2-ol?
5-tert-butyl-1,2-dihydropyridin-2-ol has a molecular weight of 153.22 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 122428287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).