amino(1-phenoxyprop-2-enyl)azanium

C9H13N2O+ — CID 173197898

IUPACamino(1-phenoxyprop-2-enyl)azanium
SMILESC=CC([NH2+]N)Oc1ccccc1
InChIInChI=1S/C9H12N2O/c1-2-9(11-10)12-8-6-4-3-5-7-8/h2-7,9,11H,1,10H2/p+1
InChIKeyQXJKJTAIWGZROR-UHFFFAOYSA-O
MW165.22 g/mol
LogP0.01
Rot. Bonds4

About amino(1-phenoxyprop-2-enyl)azanium

amino(1-phenoxyprop-2-enyl)azanium (PubChem CID 173197898) has the molecular formula C9H13N2O+ and a molecular weight of 165.22 g/mol. Its IUPAC name is amino(1-phenoxyprop-2-enyl)azanium.

Molecular Properties

Compound Nameamino(1-phenoxyprop-2-enyl)azanium
PubChem CID173197898
Molecular FormulaC9H13N2O+
Molecular Weight165.22 g/mol
Exact Mass165.10
IUPAC Nameamino(1-phenoxyprop-2-enyl)azanium
SMILESC=CC([NH2+]N)Oc1ccccc1
InChIInChI=1S/C9H12N2O/c1-2-9(11-10)12-8-6-4-3-5-7-8/h2-7,9,11H,1,10H2/p+1
InChIKeyQXJKJTAIWGZROR-UHFFFAOYSA-O
XLogP0.01
TPSA51.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(1-phenoxyprop-2-enyl)azanium?
The IUPAC name of amino(1-phenoxyprop-2-enyl)azanium (CID 173197898) is amino(1-phenoxyprop-2-enyl)azanium.
What is the SMILES notation for amino(1-phenoxyprop-2-enyl)azanium?
The canonical SMILES for amino(1-phenoxyprop-2-enyl)azanium is C=CC([NH2+]N)Oc1ccccc1.
What is the InChIKey of amino(1-phenoxyprop-2-enyl)azanium?
The InChIKey is QXJKJTAIWGZROR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N2O/c1-2-9(11-10)12-8-6-4-3-5-7-8/h2-7,9,11H,1,10H2/p+1.
What are the key properties of amino(1-phenoxyprop-2-enyl)azanium?
amino(1-phenoxyprop-2-enyl)azanium has a molecular weight of 165.22 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino(1-phenoxyprop-2-enyl)azanium is sourced from PubChem (CID 173197898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).