acetic acid;naphthalen-1-amine

C12H13NO2 — CID 24840531

IUPACacetic acid;naphthalen-1-amine
SMILESCC(=O)O.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.C2H4O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2(3)4/h1-7H,11H2;1H3,(H,3,4)
InChIKeyIFGNKKKUQMYCLW-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.51
Rot. Bonds

About acetic acid;naphthalen-1-amine

acetic acid;naphthalen-1-amine (PubChem CID 24840531) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is acetic acid;naphthalen-1-amine.

Molecular Properties

Compound Nameacetic acid;naphthalen-1-amine
PubChem CID24840531
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameacetic acid;naphthalen-1-amine
SMILESCC(=O)O.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.C2H4O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2(3)4/h1-7H,11H2;1H3,(H,3,4)
InChIKeyIFGNKKKUQMYCLW-UHFFFAOYSA-N
XLogP2.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetic acid;naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;naphthalen-1-amine?
The IUPAC name of acetic acid;naphthalen-1-amine (CID 24840531) is acetic acid;naphthalen-1-amine.
What is the SMILES notation for acetic acid;naphthalen-1-amine?
The canonical SMILES for acetic acid;naphthalen-1-amine is CC(=O)O.Nc1cccc2ccccc12.
What is the InChIKey of acetic acid;naphthalen-1-amine?
The InChIKey is IFGNKKKUQMYCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C2H4O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2(3)4/h1-7H,11H2;1H3,(H,3,4).
What are the key properties of acetic acid;naphthalen-1-amine?
acetic acid;naphthalen-1-amine has a molecular weight of 203.24 g/mol, XLogP of 2.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;naphthalen-1-amine is sourced from PubChem (CID 24840531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).