4-imino-8H-naphthalene-2-carboxylic acid

C11H9NO2 — CID 163918474

IUPAC4-imino-8H-naphthalene-2-carboxylic acid
SMILES[H]/N=C1\C=C(C(=O)O)C=C2CC=CC=C21
InChIInChI=1S/C11H9NO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-2,4-6,12H,3H2,(H,13,14)/b12-10+
InChIKeyQYIWTAYTLUIPHO-ZRDIBKRKSA-N
MW187.20 g/mol
LogP1.84
Rot. Bonds1

About 4-imino-8H-naphthalene-2-carboxylic acid

4-imino-8H-naphthalene-2-carboxylic acid (PubChem CID 163918474) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-imino-8H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-imino-8H-naphthalene-2-carboxylic acid
PubChem CID163918474
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-imino-8H-naphthalene-2-carboxylic acid
SMILES[H]/N=C1\C=C(C(=O)O)C=C2CC=CC=C21
InChIInChI=1S/C11H9NO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-2,4-6,12H,3H2,(H,13,14)/b12-10+
InChIKeyQYIWTAYTLUIPHO-ZRDIBKRKSA-N
XLogP1.84
TPSA61.15 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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-8H-naphthalene-2-carboxylic acid?
The IUPAC name of 4-imino-8H-naphthalene-2-carboxylic acid (CID 163918474) is 4-imino-8H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 4-imino-8H-naphthalene-2-carboxylic acid?
The canonical SMILES for 4-imino-8H-naphthalene-2-carboxylic acid is [H]/N=C1\C=C(C(=O)O)C=C2CC=CC=C21.
What is the InChIKey of 4-imino-8H-naphthalene-2-carboxylic acid?
The InChIKey is QYIWTAYTLUIPHO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H9NO2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-2,4-6,12H,3H2,(H,13,14)/b12-10+.
What are the key properties of 4-imino-8H-naphthalene-2-carboxylic acid?
4-imino-8H-naphthalene-2-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-8H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 163918474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).