2-(prop-2-ynylamino)phenol

C9H9NO — CID 10749329

IUPAC2-(prop-2-ynylamino)phenol
SMILESC#CCNc1ccccc1O
InChIInChI=1S/C9H9NO/c1-2-7-10-8-5-3-4-6-9(8)11/h1,3-6,10-11H,7H2
InChIKeyWIRZORNNWXAYTG-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.44
Rot. Bonds2

About 2-(prop-2-ynylamino)phenol

2-(prop-2-ynylamino)phenol (PubChem CID 10749329) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)phenol.

Molecular Properties

Compound Name2-(prop-2-ynylamino)phenol
PubChem CID10749329
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-(prop-2-ynylamino)phenol
SMILESC#CCNc1ccccc1O
InChIInChI=1S/C9H9NO/c1-2-7-10-8-5-3-4-6-9(8)11/h1,3-6,10-11H,7H2
InChIKeyWIRZORNNWXAYTG-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)phenol?
The IUPAC name of 2-(prop-2-ynylamino)phenol (CID 10749329) is 2-(prop-2-ynylamino)phenol.
What is the SMILES notation for 2-(prop-2-ynylamino)phenol?
The canonical SMILES for 2-(prop-2-ynylamino)phenol is C#CCNc1ccccc1O.
What is the InChIKey of 2-(prop-2-ynylamino)phenol?
The InChIKey is WIRZORNNWXAYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-7-10-8-5-3-4-6-9(8)11/h1,3-6,10-11H,7H2.
What are the key properties of 2-(prop-2-ynylamino)phenol?
2-(prop-2-ynylamino)phenol has a molecular weight of 147.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)phenol is sourced from PubChem (CID 10749329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).