2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

C13H21NO — CID 2869240

IUPAC2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESC=CCC1C=CCC(CC=C)N1CCO
InChIInChI=1S/C13H21NO/c1-3-6-12-8-5-9-13(7-4-2)14(12)10-11-15/h3-5,8,12-13,15H,1-2,6-7,9-11H2
InChIKeySVGVOQWEUWSJNS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.13
Rot. Bonds6

About 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (PubChem CID 2869240) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
PubChem CID2869240
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESC=CCC1C=CCC(CC=C)N1CCO
InChIInChI=1S/C13H21NO/c1-3-6-12-8-5-9-13(7-4-2)14(12)10-11-15/h3-5,8,12-13,15H,1-2,6-7,9-11H2
InChIKeySVGVOQWEUWSJNS-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol 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 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The IUPAC name of 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (CID 2869240) is 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The canonical SMILES for 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is C=CCC1C=CCC(CC=C)N1CCO.
What is the InChIKey of 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The InChIKey is SVGVOQWEUWSJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-6-12-8-5-9-13(7-4-2)14(12)10-11-15/h3-5,8,12-13,15H,1-2,6-7,9-11H2.
What are the key properties of 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is sourced from PubChem (CID 2869240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).