3-amino-1-phenylprop-1-en-2-ol

C9H11NO — CID 67642473

IUPAC3-amino-1-phenylprop-1-en-2-ol
SMILESNCC(O)=Cc1ccccc1
InChIInChI=1S/C9H11NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-6,11H,7,10H2
InChIKeyJYTRSTYAUSXUCT-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.54
Rot. Bonds2

About 3-amino-1-phenylprop-1-en-2-ol

3-amino-1-phenylprop-1-en-2-ol (PubChem CID 67642473) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-amino-1-phenylprop-1-en-2-ol.

Molecular Properties

Compound Name3-amino-1-phenylprop-1-en-2-ol
PubChem CID67642473
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-amino-1-phenylprop-1-en-2-ol
SMILESNCC(O)=Cc1ccccc1
InChIInChI=1S/C9H11NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-6,11H,7,10H2
InChIKeyJYTRSTYAUSXUCT-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenylprop-1-en-2-ol?
The IUPAC name of 3-amino-1-phenylprop-1-en-2-ol (CID 67642473) is 3-amino-1-phenylprop-1-en-2-ol.
What is the SMILES notation for 3-amino-1-phenylprop-1-en-2-ol?
The canonical SMILES for 3-amino-1-phenylprop-1-en-2-ol is NCC(O)=Cc1ccccc1.
What is the InChIKey of 3-amino-1-phenylprop-1-en-2-ol?
The InChIKey is JYTRSTYAUSXUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-6,11H,7,10H2.
What are the key properties of 3-amino-1-phenylprop-1-en-2-ol?
3-amino-1-phenylprop-1-en-2-ol has a molecular weight of 149.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenylprop-1-en-2-ol is sourced from PubChem (CID 67642473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).