1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol

C8H15NO — CID 146628726

IUPAC1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
SMILESCC(C)N1CC=CC(O)C1
InChIInChI=1S/C8H15NO/c1-7(2)9-5-3-4-8(10)6-9/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyQUDVZLNWMNENSS-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.63
Rot. Bonds1

About 1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol

1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol (PubChem CID 146628726) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
PubChem CID146628726
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
SMILESCC(C)N1CC=CC(O)C1
InChIInChI=1S/C8H15NO/c1-7(2)9-5-3-4-8(10)6-9/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyQUDVZLNWMNENSS-UHFFFAOYSA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol
CID 146628666
1-Methyl-1,2,3,6-tetrahydropyridin-3-ol
CID 57931143
1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-ol iodide
CID 146627803
3-Deuterio-1-methyl-2,6-dihydropyridin-3-ol
CID 162657020
1,5-dimethyl-3,6-dihydro-2H-pyridin-3-ol
CID 59177617
(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 59674822
1-propyl-3,6-dihydro-2H-pyridin-3-ol
CID 146627795
1-cyclobutyl-3,6-dihydro-2H-pyridin-3-ol
CID 146627864
(2S,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70681003
(2R,3S)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70689425
(2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70689426
(2S,3S)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70689428

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
The IUPAC name of 1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol (CID 146628726) is 1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for 1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
The canonical SMILES for 1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol is CC(C)N1CC=CC(O)C1.
What is the InChIKey of 1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
The InChIKey is QUDVZLNWMNENSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)9-5-3-4-8(10)6-9/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 146628726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).