6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol

C10H13NO2 — CID 3153

IUPAC6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol
SMILESNC1CCc2cc(O)c(O)cc2C1
InChIInChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2
InChIKeyASXGAOFCKGHGMF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.91
Rot. Bonds

About 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol

6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol (PubChem CID 3153) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol.

Molecular Properties

Compound Name6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol
PubChem CID3153
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol
SMILESNC1CCc2cc(O)c(O)cc2C1
InChIInChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2
InChIKeyASXGAOFCKGHGMF-UHFFFAOYSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol?
The IUPAC name of 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol (CID 3153) is 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol.
What is the SMILES notation for 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol?
The canonical SMILES for 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol is NC1CCc2cc(O)c(O)cc2C1.
What is the InChIKey of 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol?
The InChIKey is ASXGAOFCKGHGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2.
What are the key properties of 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol?
6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol has a molecular weight of 179.22 g/mol, XLogP of 0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol is sourced from PubChem (CID 3153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).