3-methyl-1-pyridin-4-ylbut-2-en-1-ol

C10H13NO — CID 79190562

IUPAC3-methyl-1-pyridin-4-ylbut-2-en-1-ol
SMILESCC(C)=CC(O)c1ccncc1
InChIInChI=1S/C10H13NO/c1-8(2)7-10(12)9-3-5-11-6-4-9/h3-7,10,12H,1-2H3
InChIKeyBQHMGJQXMFCBRT-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.08
Rot. Bonds2

About 3-methyl-1-pyridin-4-ylbut-2-en-1-ol

3-methyl-1-pyridin-4-ylbut-2-en-1-ol (PubChem CID 79190562) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-methyl-1-pyridin-4-ylbut-2-en-1-ol.

Molecular Properties

Compound Name3-methyl-1-pyridin-4-ylbut-2-en-1-ol
PubChem CID79190562
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-methyl-1-pyridin-4-ylbut-2-en-1-ol
SMILESCC(C)=CC(O)c1ccncc1
InChIInChI=1S/C10H13NO/c1-8(2)7-10(12)9-3-5-11-6-4-9/h3-7,10,12H,1-2H3
InChIKeyBQHMGJQXMFCBRT-UHFFFAOYSA-N
XLogP2.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridin-4-ylbut-2-en-1-ol?
The IUPAC name of 3-methyl-1-pyridin-4-ylbut-2-en-1-ol (CID 79190562) is 3-methyl-1-pyridin-4-ylbut-2-en-1-ol.
What is the SMILES notation for 3-methyl-1-pyridin-4-ylbut-2-en-1-ol?
The canonical SMILES for 3-methyl-1-pyridin-4-ylbut-2-en-1-ol is CC(C)=CC(O)c1ccncc1.
What is the InChIKey of 3-methyl-1-pyridin-4-ylbut-2-en-1-ol?
The InChIKey is BQHMGJQXMFCBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(2)7-10(12)9-3-5-11-6-4-9/h3-7,10,12H,1-2H3.
What are the key properties of 3-methyl-1-pyridin-4-ylbut-2-en-1-ol?
3-methyl-1-pyridin-4-ylbut-2-en-1-ol has a molecular weight of 163.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridin-4-ylbut-2-en-1-ol is sourced from PubChem (CID 79190562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).