N-hydroxy-9,10-dihydroanthracene-9-carboxamide

C15H13NO2 — CID 45482666

IUPACN-hydroxy-9,10-dihydroanthracene-9-carboxamide
SMILESO=C(NO)C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C15H13NO2/c17-15(16-18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8,14,18H,9H2,(H,16,17)
InChIKeySIYRPEHGIQLXJG-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.23
Rot. Bonds1

About N-hydroxy-9,10-dihydroanthracene-9-carboxamide

N-hydroxy-9,10-dihydroanthracene-9-carboxamide (PubChem CID 45482666) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-hydroxy-9,10-dihydroanthracene-9-carboxamide.

Molecular Properties

Compound NameN-hydroxy-9,10-dihydroanthracene-9-carboxamide
PubChem CID45482666
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC NameN-hydroxy-9,10-dihydroanthracene-9-carboxamide
SMILESO=C(NO)C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C15H13NO2/c17-15(16-18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8,14,18H,9H2,(H,16,17)
InChIKeySIYRPEHGIQLXJG-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-9,10-dihydroanthracene-9-carboxamide?
The IUPAC name of N-hydroxy-9,10-dihydroanthracene-9-carboxamide (CID 45482666) is N-hydroxy-9,10-dihydroanthracene-9-carboxamide.
What is the SMILES notation for N-hydroxy-9,10-dihydroanthracene-9-carboxamide?
The canonical SMILES for N-hydroxy-9,10-dihydroanthracene-9-carboxamide is O=C(NO)C1c2ccccc2Cc2ccccc21.
What is the InChIKey of N-hydroxy-9,10-dihydroanthracene-9-carboxamide?
The InChIKey is SIYRPEHGIQLXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15(16-18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8,14,18H,9H2,(H,16,17).
What are the key properties of N-hydroxy-9,10-dihydroanthracene-9-carboxamide?
N-hydroxy-9,10-dihydroanthracene-9-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-9,10-dihydroanthracene-9-carboxamide is sourced from PubChem (CID 45482666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).