2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione

C15H11NO5 — CID 25235988

IUPAC2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(O)c(N)c(O)c1C2=O
InChIInChI=1S/C15H11NO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,16H2,1H3
InChIKeyLIADDEPPBMEHPA-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.47
Rot. Bonds

About 2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione

2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione (PubChem CID 25235988) has the molecular formula C15H11NO5 and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione.

Molecular Properties

Compound Name2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione
PubChem CID25235988
Molecular FormulaC15H11NO5
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(O)c(N)c(O)c1C2=O
InChIInChI=1S/C15H11NO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,16H2,1H3
InChIKeyLIADDEPPBMEHPA-UHFFFAOYSA-N
XLogP1.47
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione?
The IUPAC name of 2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione (CID 25235988) is 2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione.
What is the SMILES notation for 2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione?
The canonical SMILES for 2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione is Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(N)c(O)c1C2=O.
What is the InChIKey of 2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione?
The InChIKey is LIADDEPPBMEHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,16H2,1H3.
What are the key properties of 2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione?
2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione has a molecular weight of 285.25 g/mol, XLogP of 1.47, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione is sourced from PubChem (CID 25235988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).