3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol

C13H11NO — CID 169485581

IUPAC3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol
SMILESNc1ccc(C#CCO)c2ccccc12
InChIInChI=1S/C13H11NO/c14-13-8-7-10(4-3-9-15)11-5-1-2-6-12(11)13/h1-2,5-8,15H,9,14H2
InChIKeyCUYHRGVIJLKMPJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.77
Rot. Bonds

About 3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol

3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol (PubChem CID 169485581) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol
PubChem CID169485581
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol
SMILESNc1ccc(C#CCO)c2ccccc12
InChIInChI=1S/C13H11NO/c14-13-8-7-10(4-3-9-15)11-5-1-2-6-12(11)13/h1-2,5-8,15H,9,14H2
InChIKeyCUYHRGVIJLKMPJ-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.77
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 3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol (CID 169485581) is 3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol is Nc1ccc(C#CCO)c2ccccc12.
What is the InChIKey of 3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol?
The InChIKey is CUYHRGVIJLKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-13-8-7-10(4-3-9-15)11-5-1-2-6-12(11)13/h1-2,5-8,15H,9,14H2.
What are the key properties of 3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol?
3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol has a molecular weight of 197.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminonaphthalen-1-yl)prop-2-yn-1-ol is sourced from PubChem (CID 169485581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).