4-methyl-1-pyridin-3-ylpent-4-en-1-ol

C11H15NO — CID 114473785

IUPAC4-methyl-1-pyridin-3-ylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cccnc1
InChIInChI=1S/C11H15NO/c1-9(2)5-6-11(13)10-4-3-7-12-8-10/h3-4,7-8,11,13H,1,5-6H2,2H3
InChIKeyAKKJFCWYNQDGDL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.47
Rot. Bonds4

About 4-methyl-1-pyridin-3-ylpent-4-en-1-ol

4-methyl-1-pyridin-3-ylpent-4-en-1-ol (PubChem CID 114473785) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-methyl-1-pyridin-3-ylpent-4-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-pyridin-3-ylpent-4-en-1-ol
PubChem CID114473785
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-methyl-1-pyridin-3-ylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cccnc1
InChIInChI=1S/C11H15NO/c1-9(2)5-6-11(13)10-4-3-7-12-8-10/h3-4,7-8,11,13H,1,5-6H2,2H3
InChIKeyAKKJFCWYNQDGDL-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

4-methyl-1-pyrimidin-5-ylpent-4-en-1-ol
CID 102924122
4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol
CID 143696710
(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
CID 130868428
1-pyridin-3-ylpent-4-yn-1-ol
CID 15085517
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 65098166
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
(1R)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine;hydrochloride
CID 171201516
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
3-(4-fluorophenyl)-1-pyridin-3-ylpropan-1-ol
CID 19775361
3-(2-methoxyphenyl)-1-pyridin-3-ylpropan-1-ol
CID 82185446
N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
CID 79178920

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyridin-3-ylpent-4-en-1-ol?
The IUPAC name of 4-methyl-1-pyridin-3-ylpent-4-en-1-ol (CID 114473785) is 4-methyl-1-pyridin-3-ylpent-4-en-1-ol.
What is the SMILES notation for 4-methyl-1-pyridin-3-ylpent-4-en-1-ol?
The canonical SMILES for 4-methyl-1-pyridin-3-ylpent-4-en-1-ol is C=C(C)CCC(O)c1cccnc1.
What is the InChIKey of 4-methyl-1-pyridin-3-ylpent-4-en-1-ol?
The InChIKey is AKKJFCWYNQDGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)5-6-11(13)10-4-3-7-12-8-10/h3-4,7-8,11,13H,1,5-6H2,2H3.
What are the key properties of 4-methyl-1-pyridin-3-ylpent-4-en-1-ol?
4-methyl-1-pyridin-3-ylpent-4-en-1-ol has a molecular weight of 177.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyridin-3-ylpent-4-en-1-ol is sourced from PubChem (CID 114473785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).