4-hydroxynaphthalene-1-carboxamide

C11H9NO2 — CID 18188469

IUPAC4-hydroxynaphthalene-1-carboxamide
SMILESNC(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C11H9NO2/c12-11(14)9-5-6-10(13)8-4-2-1-3-7(8)9/h1-6,13H,(H2,12,14)
InChIKeyVRSVTWYELDAUTA-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.64
Rot. Bonds1

About 4-hydroxynaphthalene-1-carboxamide

4-hydroxynaphthalene-1-carboxamide (PubChem CID 18188469) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-hydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-hydroxynaphthalene-1-carboxamide
PubChem CID18188469
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-hydroxynaphthalene-1-carboxamide
SMILESNC(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C11H9NO2/c12-11(14)9-5-6-10(13)8-4-2-1-3-7(8)9/h1-6,13H,(H2,12,14)
InChIKeyVRSVTWYELDAUTA-UHFFFAOYSA-N
XLogP1.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxynaphthalene-1-carboxamide?
The IUPAC name of 4-hydroxynaphthalene-1-carboxamide (CID 18188469) is 4-hydroxynaphthalene-1-carboxamide.
What is the SMILES notation for 4-hydroxynaphthalene-1-carboxamide?
The canonical SMILES for 4-hydroxynaphthalene-1-carboxamide is NC(=O)c1ccc(O)c2ccccc12.
What is the InChIKey of 4-hydroxynaphthalene-1-carboxamide?
The InChIKey is VRSVTWYELDAUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-11(14)9-5-6-10(13)8-4-2-1-3-7(8)9/h1-6,13H,(H2,12,14).
What are the key properties of 4-hydroxynaphthalene-1-carboxamide?
4-hydroxynaphthalene-1-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 18188469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).