2-methyl-5-pyridin-3-ylpent-1-en-3-ol

C11H15NO — CID 105110580

IUPAC2-methyl-5-pyridin-3-ylpent-1-en-3-ol
SMILESC=C(C)C(O)CCc1cccnc1
InChIInChI=1S/C11H15NO/c1-9(2)11(13)6-5-10-4-3-7-12-8-10/h3-4,7-8,11,13H,1,5-6H2,2H3
InChIKeyQTKDUTHITIUVAN-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds4

About 2-methyl-5-pyridin-3-ylpent-1-en-3-ol

2-methyl-5-pyridin-3-ylpent-1-en-3-ol (PubChem CID 105110580) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-5-pyridin-3-ylpent-1-en-3-ol.

Molecular Properties

Compound Name2-methyl-5-pyridin-3-ylpent-1-en-3-ol
PubChem CID105110580
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-methyl-5-pyridin-3-ylpent-1-en-3-ol
SMILESC=C(C)C(O)CCc1cccnc1
InChIInChI=1S/C11H15NO/c1-9(2)11(13)6-5-10-4-3-7-12-8-10/h3-4,7-8,11,13H,1,5-6H2,2H3
InChIKeyQTKDUTHITIUVAN-UHFFFAOYSA-N
XLogP1.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
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

(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
1-pyridin-3-ylundecan-3-ol
CID 105085819
1-pyridin-3-ylhexan-3-amine
CID 64506028
1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105117283
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
3-(5-methylhexyl)pyridine
CID 54316004

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-3-ylpent-1-en-3-ol?
The IUPAC name of 2-methyl-5-pyridin-3-ylpent-1-en-3-ol (CID 105110580) is 2-methyl-5-pyridin-3-ylpent-1-en-3-ol.
What is the SMILES notation for 2-methyl-5-pyridin-3-ylpent-1-en-3-ol?
The canonical SMILES for 2-methyl-5-pyridin-3-ylpent-1-en-3-ol is C=C(C)C(O)CCc1cccnc1.
What is the InChIKey of 2-methyl-5-pyridin-3-ylpent-1-en-3-ol?
The InChIKey is QTKDUTHITIUVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)11(13)6-5-10-4-3-7-12-8-10/h3-4,7-8,11,13H,1,5-6H2,2H3.
What are the key properties of 2-methyl-5-pyridin-3-ylpent-1-en-3-ol?
2-methyl-5-pyridin-3-ylpent-1-en-3-ol has a molecular weight of 177.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-3-ylpent-1-en-3-ol is sourced from PubChem (CID 105110580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).