2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol

C14H15NO2 — CID 90809969

IUPAC2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol
SMILESCc1c(C=CCN)c(O)c2ccccc2c1O
InChIInChI=1S/C14H15NO2/c1-9-10(7-4-8-15)14(17)12-6-3-2-5-11(12)13(9)16/h2-7,16-17H,8,15H2,1H3
InChIKeyXAKXUHCUCCRTKN-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol

2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol (PubChem CID 90809969) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol
PubChem CID90809969
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol
SMILESCc1c(C=CCN)c(O)c2ccccc2c1O
InChIInChI=1S/C14H15NO2/c1-9-10(7-4-8-15)14(17)12-6-3-2-5-11(12)13(9)16/h2-7,16-17H,8,15H2,1H3
InChIKeyXAKXUHCUCCRTKN-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol?
The IUPAC name of 2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol (CID 90809969) is 2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol.
What is the SMILES notation for 2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol?
The canonical SMILES for 2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol is Cc1c(C=CCN)c(O)c2ccccc2c1O.
What is the InChIKey of 2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol?
The InChIKey is XAKXUHCUCCRTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-10(7-4-8-15)14(17)12-6-3-2-5-11(12)13(9)16/h2-7,16-17H,8,15H2,1H3.
What are the key properties of 2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol?
2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol has a molecular weight of 229.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol is sourced from PubChem (CID 90809969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).