9-amino-1,2,3,4-tetrahydroacridine-3,4-diol

C13H14N2O2 — CID 54064271

IUPAC9-amino-1,2,3,4-tetrahydroacridine-3,4-diol
SMILESNc1c2c(nc3ccccc13)C(O)C(O)CC2
InChIInChI=1S/C13H14N2O2/c14-11-7-3-1-2-4-9(7)15-12-8(11)5-6-10(16)13(12)17/h1-4,10,13,16-17H,5-6H2,(H2,14,15)
InChIKeyMBVVXMPTCOOITO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.16
Rot. Bonds

About 9-amino-1,2,3,4-tetrahydroacridine-3,4-diol

9-amino-1,2,3,4-tetrahydroacridine-3,4-diol (PubChem CID 54064271) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 9-amino-1,2,3,4-tetrahydroacridine-3,4-diol.

Molecular Properties

Compound Name9-amino-1,2,3,4-tetrahydroacridine-3,4-diol
PubChem CID54064271
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name9-amino-1,2,3,4-tetrahydroacridine-3,4-diol
SMILESNc1c2c(nc3ccccc13)C(O)C(O)CC2
InChIInChI=1S/C13H14N2O2/c14-11-7-3-1-2-4-9(7)15-12-8(11)5-6-10(16)13(12)17/h1-4,10,13,16-17H,5-6H2,(H2,14,15)
InChIKeyMBVVXMPTCOOITO-UHFFFAOYSA-N
XLogP1.16
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-1,2,3,4-tetrahydroacridine-3,4-diol?
The IUPAC name of 9-amino-1,2,3,4-tetrahydroacridine-3,4-diol (CID 54064271) is 9-amino-1,2,3,4-tetrahydroacridine-3,4-diol.
What is the SMILES notation for 9-amino-1,2,3,4-tetrahydroacridine-3,4-diol?
The canonical SMILES for 9-amino-1,2,3,4-tetrahydroacridine-3,4-diol is Nc1c2c(nc3ccccc13)C(O)C(O)CC2.
What is the InChIKey of 9-amino-1,2,3,4-tetrahydroacridine-3,4-diol?
The InChIKey is MBVVXMPTCOOITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-11-7-3-1-2-4-9(7)15-12-8(11)5-6-10(16)13(12)17/h1-4,10,13,16-17H,5-6H2,(H2,14,15).
What are the key properties of 9-amino-1,2,3,4-tetrahydroacridine-3,4-diol?
9-amino-1,2,3,4-tetrahydroacridine-3,4-diol has a molecular weight of 230.27 g/mol, XLogP of 1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-1,2,3,4-tetrahydroacridine-3,4-diol is sourced from PubChem (CID 54064271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).