(3-prop-2-enoxyphenyl)azanium

C9H12NO+ — CID 59822882

IUPAC(3-prop-2-enoxyphenyl)azanium
SMILESC=CCOc1cccc([NH3+])c1
InChIInChI=1S/C9H11NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6,10H2/p+1
InChIKeyHQZRFXBFXJEYID-UHFFFAOYSA-O
MW150.20 g/mol
LogP1.12
Rot. Bonds3

About (3-prop-2-enoxyphenyl)azanium

(3-prop-2-enoxyphenyl)azanium (PubChem CID 59822882) has the molecular formula C9H12NO+ and a molecular weight of 150.20 g/mol. Its IUPAC name is (3-prop-2-enoxyphenyl)azanium.

Molecular Properties

Compound Name(3-prop-2-enoxyphenyl)azanium
PubChem CID59822882
Molecular FormulaC9H12NO+
Molecular Weight150.20 g/mol
Exact Mass150.09
IUPAC Name(3-prop-2-enoxyphenyl)azanium
SMILESC=CCOc1cccc([NH3+])c1
InChIInChI=1S/C9H11NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6,10H2/p+1
InChIKeyHQZRFXBFXJEYID-UHFFFAOYSA-O
XLogP1.12
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

P-Anisidine
CID 7732
4-Ethoxyaniline
CID 9076
3-Methoxyaniline
CID 10824
4,4'-Diaminodiphenyl Ether
CID 7579
2,5-Diaminoanisole
CID 21379
4-Hexyloxyaniline
CID 38360
o-Phenetidine
CID 7203
3-Ethoxyaniline
CID 12120
4-Anisidine hydrochloride
CID 2734956
3,4-Dimethoxyaniline
CID 22770
Benzenamine, 2-phenoxy-
CID 75899
2,5-Dimethoxyaniline
CID 7613

Frequently Asked Questions

What is the IUPAC name of (3-prop-2-enoxyphenyl)azanium?
The IUPAC name of (3-prop-2-enoxyphenyl)azanium (CID 59822882) is (3-prop-2-enoxyphenyl)azanium.
What is the SMILES notation for (3-prop-2-enoxyphenyl)azanium?
The canonical SMILES for (3-prop-2-enoxyphenyl)azanium is C=CCOc1cccc([NH3+])c1.
What is the InChIKey of (3-prop-2-enoxyphenyl)azanium?
The InChIKey is HQZRFXBFXJEYID-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6,10H2/p+1.
What are the key properties of (3-prop-2-enoxyphenyl)azanium?
(3-prop-2-enoxyphenyl)azanium has a molecular weight of 150.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enoxyphenyl)azanium is sourced from PubChem (CID 59822882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).