4,5-dihydroxy-10-iminoanthracen-9-one

C14H9NO3 — CID 617386

IUPAC4,5-dihydroxy-10-iminoanthracen-9-one
SMILES[H]N=C1c2c(O)cccc2C(=O)c2cccc(O)c21
InChIInChI=1S/C14H9NO3/c15-13-11-7(3-1-5-9(11)16)14(18)8-4-2-6-10(17)12(8)13/h1-6,15-17H
InChIKeyYWUZUPHQBQGAKV-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.06
Rot. Bonds

About 4,5-dihydroxy-10-iminoanthracen-9-one

4,5-dihydroxy-10-iminoanthracen-9-one (PubChem CID 617386) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4,5-dihydroxy-10-iminoanthracen-9-one.

Molecular Properties

Compound Name4,5-dihydroxy-10-iminoanthracen-9-one
PubChem CID617386
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name4,5-dihydroxy-10-iminoanthracen-9-one
SMILES[H]N=C1c2c(O)cccc2C(=O)c2cccc(O)c21
InChIInChI=1S/C14H9NO3/c15-13-11-7(3-1-5-9(11)16)14(18)8-4-2-6-10(17)12(8)13/h1-6,15-17H
InChIKeyYWUZUPHQBQGAKV-UHFFFAOYSA-N
XLogP2.06
TPSA81.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-10-iminoanthracen-9-one?
The IUPAC name of 4,5-dihydroxy-10-iminoanthracen-9-one (CID 617386) is 4,5-dihydroxy-10-iminoanthracen-9-one.
What is the SMILES notation for 4,5-dihydroxy-10-iminoanthracen-9-one?
The canonical SMILES for 4,5-dihydroxy-10-iminoanthracen-9-one is [H]N=C1c2c(O)cccc2C(=O)c2cccc(O)c21.
What is the InChIKey of 4,5-dihydroxy-10-iminoanthracen-9-one?
The InChIKey is YWUZUPHQBQGAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c15-13-11-7(3-1-5-9(11)16)14(18)8-4-2-6-10(17)12(8)13/h1-6,15-17H.
What are the key properties of 4,5-dihydroxy-10-iminoanthracen-9-one?
4,5-dihydroxy-10-iminoanthracen-9-one has a molecular weight of 239.23 g/mol, XLogP of 2.06, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-10-iminoanthracen-9-one is sourced from PubChem (CID 617386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).