1,4-bis(prop-2-enyl)-2H-pyridin-2-ol

C11H15NO — CID 70408765

IUPAC1,4-bis(prop-2-enyl)-2H-pyridin-2-ol
SMILESC=CCC1=CC(O)N(CC=C)C=C1
InChIInChI=1S/C11H15NO/c1-3-5-10-6-8-12(7-4-2)11(13)9-10/h3-4,6,8-9,11,13H,1-2,5,7H2
InChIKeyIYPFOYGVYLWCNR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.82
Rot. Bonds4

About 1,4-bis(prop-2-enyl)-2H-pyridin-2-ol

1,4-bis(prop-2-enyl)-2H-pyridin-2-ol (PubChem CID 70408765) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,4-bis(prop-2-enyl)-2H-pyridin-2-ol.

Molecular Properties

Compound Name1,4-bis(prop-2-enyl)-2H-pyridin-2-ol
PubChem CID70408765
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1,4-bis(prop-2-enyl)-2H-pyridin-2-ol
SMILESC=CCC1=CC(O)N(CC=C)C=C1
InChIInChI=1S/C11H15NO/c1-3-5-10-6-8-12(7-4-2)11(13)9-10/h3-4,6,8-9,11,13H,1-2,5,7H2
InChIKeyIYPFOYGVYLWCNR-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 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 ≤ 51.82
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 1,4-bis(prop-2-enyl)-2H-pyridin-2-ol?
The IUPAC name of 1,4-bis(prop-2-enyl)-2H-pyridin-2-ol (CID 70408765) is 1,4-bis(prop-2-enyl)-2H-pyridin-2-ol.
What is the SMILES notation for 1,4-bis(prop-2-enyl)-2H-pyridin-2-ol?
The canonical SMILES for 1,4-bis(prop-2-enyl)-2H-pyridin-2-ol is C=CCC1=CC(O)N(CC=C)C=C1.
What is the InChIKey of 1,4-bis(prop-2-enyl)-2H-pyridin-2-ol?
The InChIKey is IYPFOYGVYLWCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-5-10-6-8-12(7-4-2)11(13)9-10/h3-4,6,8-9,11,13H,1-2,5,7H2.
What are the key properties of 1,4-bis(prop-2-enyl)-2H-pyridin-2-ol?
1,4-bis(prop-2-enyl)-2H-pyridin-2-ol has a molecular weight of 177.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-2-enyl)-2H-pyridin-2-ol is sourced from PubChem (CID 70408765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).