1,4-dihydroxynaphthalene-2-carboxamide

C11H9NO3 — CID 14854764

IUPAC1,4-dihydroxynaphthalene-2-carboxamide
SMILESNC(=O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H9NO3/c12-11(15)8-5-9(13)6-3-1-2-4-7(6)10(8)14/h1-5,13-14H,(H2,12,15)
InChIKeyOFYILPLTFPCESA-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.35
Rot. Bonds1

About 1,4-dihydroxynaphthalene-2-carboxamide

1,4-dihydroxynaphthalene-2-carboxamide (PubChem CID 14854764) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1,4-dihydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name1,4-dihydroxynaphthalene-2-carboxamide
PubChem CID14854764
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1,4-dihydroxynaphthalene-2-carboxamide
SMILESNC(=O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H9NO3/c12-11(15)8-5-9(13)6-3-1-2-4-7(6)10(8)14/h1-5,13-14H,(H2,12,15)
InChIKeyOFYILPLTFPCESA-UHFFFAOYSA-N
XLogP1.35
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxynaphthalene-2-carboxamide?
The IUPAC name of 1,4-dihydroxynaphthalene-2-carboxamide (CID 14854764) is 1,4-dihydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 1,4-dihydroxynaphthalene-2-carboxamide?
The canonical SMILES for 1,4-dihydroxynaphthalene-2-carboxamide is NC(=O)c1cc(O)c2ccccc2c1O.
What is the InChIKey of 1,4-dihydroxynaphthalene-2-carboxamide?
The InChIKey is OFYILPLTFPCESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c12-11(15)8-5-9(13)6-3-1-2-4-7(6)10(8)14/h1-5,13-14H,(H2,12,15).
What are the key properties of 1,4-dihydroxynaphthalene-2-carboxamide?
1,4-dihydroxynaphthalene-2-carboxamide has a molecular weight of 203.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 14854764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).