4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol

C11H15NO — CID 170476275

IUPAC4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol
SMILESCc1cnc(C=CCCO)c(C)c1
InChIInChI=1S/C11H15NO/c1-9-7-10(2)11(12-8-9)5-3-4-6-13/h3,5,7-8,13H,4,6H2,1-2H3
InChIKeyYQWHAHOADYGFHR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.09
Rot. Bonds3

About 4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol

4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol (PubChem CID 170476275) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol
PubChem CID170476275
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol
SMILESCc1cnc(C=CCCO)c(C)c1
InChIInChI=1S/C11H15NO/c1-9-7-10(2)11(12-8-9)5-3-4-6-13/h3,5,7-8,13H,4,6H2,1-2H3
InChIKeyYQWHAHOADYGFHR-UHFFFAOYSA-N
XLogP2.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethyl-2-pyridinyl)but-3-enal
CID 170481581
2-(4-azidobut-1-enyl)-3,5-dimethylpyridine
CID 170484989
(E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol
CID 134541607
4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476193
4-(6-amino-4-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476221
benzyl N-[4-(3,5-dimethyl-2-pyridinyl)but-3-enyl]carbamate
CID 170493753
4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine
CID 170486654
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-2-pyridinyl)but-3-enyl]carbamate
CID 170491961
4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol
CID 170476337
4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477031
3-(4-hydroxybut-1-enyl)-4-methylphenol
CID 170476164
6-(3-chloroprop-1-enyl)-5-methylpyridin-3-amine
CID 169476998

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol?
The IUPAC name of 4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol (CID 170476275) is 4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol.
What is the SMILES notation for 4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol?
The canonical SMILES for 4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol is Cc1cnc(C=CCCO)c(C)c1.
What is the InChIKey of 4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol?
The InChIKey is YQWHAHOADYGFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-7-10(2)11(12-8-9)5-3-4-6-13/h3,5,7-8,13H,4,6H2,1-2H3.
What are the key properties of 4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol?
4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol has a molecular weight of 177.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol is sourced from PubChem (CID 170476275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).