[6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol

C9H12N2O — CID 130042114

IUPAC[6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol
SMILESC=CC(N)c1ccc(CO)cn1
InChIInChI=1S/C9H12N2O/c1-2-8(10)9-4-3-7(6-12)5-11-9/h2-5,8,12H,1,6,10H2
InChIKeyRUNJHGDGPUUWOQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.76
Rot. Bonds3

About [6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol

[6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol (PubChem CID 130042114) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is [6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol
PubChem CID130042114
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name[6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol
SMILESC=CC(N)c1ccc(CO)cn1
InChIInChI=1S/C9H12N2O/c1-2-8(10)9-4-3-7(6-12)5-11-9/h2-5,8,12H,1,6,10H2
InChIKeyRUNJHGDGPUUWOQ-UHFFFAOYSA-N
XLogP0.76
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol (CID 130042114) is [6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol is C=CC(N)c1ccc(CO)cn1.
What is the InChIKey of [6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol?
The InChIKey is RUNJHGDGPUUWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-8(10)9-4-3-7(6-12)5-11-9/h2-5,8,12H,1,6,10H2.
What are the key properties of [6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol?
[6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol has a molecular weight of 164.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol is sourced from PubChem (CID 130042114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).