[6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol

C11H17NO — CID 89324829

IUPAC[6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol
SMILESC=CC(C)(C)C1=C(CO)C=CCN1
InChIInChI=1S/C11H17NO/c1-4-11(2,3)10-9(8-13)6-5-7-12-10/h4-6,12-13H,1,7-8H2,2-3H3
InChIKeyOITHGULOZFWHIK-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.60
Rot. Bonds3

About [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol

[6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol (PubChem CID 89324829) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol.

Molecular Properties

Compound Name[6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol
PubChem CID89324829
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol
SMILESC=CC(C)(C)C1=C(CO)C=CCN1
InChIInChI=1S/C11H17NO/c1-4-11(2,3)10-9(8-13)6-5-7-12-10/h4-6,12-13H,1,7-8H2,2-3H3
InChIKeyOITHGULOZFWHIK-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol?
The IUPAC name of [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol (CID 89324829) is [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol.
What is the SMILES notation for [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol?
The canonical SMILES for [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol is C=CC(C)(C)C1=C(CO)C=CCN1.
What is the InChIKey of [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol?
The InChIKey is OITHGULOZFWHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-11(2,3)10-9(8-13)6-5-7-12-10/h4-6,12-13H,1,7-8H2,2-3H3.
What are the key properties of [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol?
[6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol has a molecular weight of 179.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylbut-3-en-2-yl)-1,2-dihydropyridin-5-yl]methanol is sourced from PubChem (CID 89324829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).