3-pyridin-2-ylpent-1-en-3-ol

C10H13NO — CID 146396934

IUPAC3-pyridin-2-ylpent-1-en-3-ol
SMILESC=CC(O)(CC)c1ccccn1
InChIInChI=1S/C10H13NO/c1-3-10(12,4-2)9-7-5-6-8-11-9/h3,5-8,12H,1,4H2,2H3
InChIKeyLIDUCUBZRJKPSW-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.87
Rot. Bonds3

About 3-pyridin-2-ylpent-1-en-3-ol

3-pyridin-2-ylpent-1-en-3-ol (PubChem CID 146396934) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-pyridin-2-ylpent-1-en-3-ol.

Molecular Properties

Compound Name3-pyridin-2-ylpent-1-en-3-ol
PubChem CID146396934
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-pyridin-2-ylpent-1-en-3-ol
SMILESC=CC(O)(CC)c1ccccn1
InChIInChI=1S/C10H13NO/c1-3-10(12,4-2)9-7-5-6-8-11-9/h3,5-8,12H,1,4H2,2H3
InChIKeyLIDUCUBZRJKPSW-UHFFFAOYSA-N
XLogP1.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.87
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-pyridin-2-ylpent-1-en-3-ol?
The IUPAC name of 3-pyridin-2-ylpent-1-en-3-ol (CID 146396934) is 3-pyridin-2-ylpent-1-en-3-ol.
What is the SMILES notation for 3-pyridin-2-ylpent-1-en-3-ol?
The canonical SMILES for 3-pyridin-2-ylpent-1-en-3-ol is C=CC(O)(CC)c1ccccn1.
What is the InChIKey of 3-pyridin-2-ylpent-1-en-3-ol?
The InChIKey is LIDUCUBZRJKPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-10(12,4-2)9-7-5-6-8-11-9/h3,5-8,12H,1,4H2,2H3.
What are the key properties of 3-pyridin-2-ylpent-1-en-3-ol?
3-pyridin-2-ylpent-1-en-3-ol has a molecular weight of 163.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylpent-1-en-3-ol is sourced from PubChem (CID 146396934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).