5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol

C13H18N2O3 — CID 23298595

IUPAC5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol
SMILESNCC(O)CO.Nc1cccc2c(O)cccc12
InChIInChI=1S/C10H9NO.C3H9NO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12;4-1-3(6)2-5/h1-6,12H,11H2;3,5-6H,1-2,4H2
InChIKeyZKIQTJSRLONRKH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.43
Rot. Bonds2

About 5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol

5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol (PubChem CID 23298595) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol.

Molecular Properties

Compound Name5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol
PubChem CID23298595
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol
SMILESNCC(O)CO.Nc1cccc2c(O)cccc12
InChIInChI=1S/C10H9NO.C3H9NO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12;4-1-3(6)2-5/h1-6,12H,11H2;3,5-6H,1-2,4H2
InChIKeyZKIQTJSRLONRKH-UHFFFAOYSA-N
XLogP0.43
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol?
The IUPAC name of 5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol (CID 23298595) is 5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol.
What is the SMILES notation for 5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol?
The canonical SMILES for 5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol is NCC(O)CO.Nc1cccc2c(O)cccc12.
What is the InChIKey of 5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol?
The InChIKey is ZKIQTJSRLONRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C3H9NO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12;4-1-3(6)2-5/h1-6,12H,11H2;3,5-6H,1-2,4H2.
What are the key properties of 5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol?
5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol has a molecular weight of 250.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminonaphthalen-1-ol;3-aminopropane-1,2-diol is sourced from PubChem (CID 23298595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).