2-Propen-1-ol, 3-(3-pyridinyl)-

HCID 3563504

Notes Reactions

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Basic information

Standard SMILES: OCC=Cc1cccnc1
InChIKey: RSFCHWDTMRVOJD-UHFFFAOYSA-N
Molecular formula: C8H9NO
Average molar mass: 135.16 g/mol

Names & identifiers

Preferred name: 2-Propen-1-ol, 3-(3-pyridinyl)-
IUPAC: 3-pyridin-3-ylprop-2-en-1-ol

Names & synonyms

3-(3-pyridyl)prop-2-en-1-ol2-Propen-1-ol, 3-(3-pyridinyl)-3-(3-Pyridinyl)-2-propen-1-olSCHEMBL6132907RSFCHWDTMRVOJD-UHFFFAOYSA-NAKOS017404967SB53082DB-347529

Database identifiers

PubChem CID: 3563504

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Related reactions

14 records

New reaction record

HRID 160286As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 179889As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 669651As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1088576As productuspto-grants-1990_10

HRID 1088577As reactantuspto-grants-1990_10

HRID 1139187As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1203320As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1534384As reactantuspto-grants-1992_02

Compound notes

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