4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol

C11H11NO — CID 130130945

IUPAC4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol
SMILESC=C(C#Cc1ccccc1N)CO
InChIInChI=1S/C11H11NO/c1-9(8-13)6-7-10-4-2-3-5-11(10)12/h2-5,13H,1,8,12H2
InChIKeyNKMDERZWFVIDER-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.17
Rot. Bonds1

About 4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol

4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol (PubChem CID 130130945) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol.

Molecular Properties

Compound Name4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol
PubChem CID130130945
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol
SMILESC=C(C#Cc1ccccc1N)CO
InChIInChI=1S/C11H11NO/c1-9(8-13)6-7-10-4-2-3-5-11(10)12/h2-5,13H,1,8,12H2
InChIKeyNKMDERZWFVIDER-UHFFFAOYSA-N
XLogP1.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol?
The IUPAC name of 4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol (CID 130130945) is 4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol.
What is the SMILES notation for 4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol?
The canonical SMILES for 4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol is C=C(C#Cc1ccccc1N)CO.
What is the InChIKey of 4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol?
The InChIKey is NKMDERZWFVIDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-9(8-13)6-7-10-4-2-3-5-11(10)12/h2-5,13H,1,8,12H2.
What are the key properties of 4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol?
4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol has a molecular weight of 173.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-2-methylidenebut-3-yn-1-ol is sourced from PubChem (CID 130130945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).