3-amino-2-prop-2-enylphenol

C9H11NO — CID 55290375

IUPAC3-amino-2-prop-2-enylphenol
SMILESC=CCc1c(N)cccc1O
InChIInChI=1S/C9H11NO/c1-2-4-7-8(10)5-3-6-9(7)11/h2-3,5-6,11H,1,4,10H2
InChIKeyMVHYGMHWBTWAHA-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.70
Rot. Bonds2

About 3-amino-2-prop-2-enylphenol

3-amino-2-prop-2-enylphenol (PubChem CID 55290375) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-amino-2-prop-2-enylphenol.

Molecular Properties

Compound Name3-amino-2-prop-2-enylphenol
PubChem CID55290375
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-amino-2-prop-2-enylphenol
SMILESC=CCc1c(N)cccc1O
InChIInChI=1S/C9H11NO/c1-2-4-7-8(10)5-3-6-9(7)11/h2-3,5-6,11H,1,4,10H2
InChIKeyMVHYGMHWBTWAHA-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-prop-2-enylphenol?
The IUPAC name of 3-amino-2-prop-2-enylphenol (CID 55290375) is 3-amino-2-prop-2-enylphenol.
What is the SMILES notation for 3-amino-2-prop-2-enylphenol?
The canonical SMILES for 3-amino-2-prop-2-enylphenol is C=CCc1c(N)cccc1O.
What is the InChIKey of 3-amino-2-prop-2-enylphenol?
The InChIKey is MVHYGMHWBTWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-7-8(10)5-3-6-9(7)11/h2-3,5-6,11H,1,4,10H2.
What are the key properties of 3-amino-2-prop-2-enylphenol?
3-amino-2-prop-2-enylphenol has a molecular weight of 149.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-prop-2-enylphenol is sourced from PubChem (CID 55290375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).