2-naphthalen-2-yliminoacetic acid

C12H9NO2 — CID 154177451

IUPAC2-naphthalen-2-yliminoacetic acid
SMILESO=C(O)/C=N/c1ccc2ccccc2c1
InChIInChI=1S/C12H9NO2/c14-12(15)8-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,14,15)/b13-8+
InChIKeyNSUBQPRUKLROSJ-MDWZMJQESA-N
MW199.21 g/mol
LogP2.63
Rot. Bonds2

About 2-naphthalen-2-yliminoacetic acid

2-naphthalen-2-yliminoacetic acid (PubChem CID 154177451) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-naphthalen-2-yliminoacetic acid.

Molecular Properties

Compound Name2-naphthalen-2-yliminoacetic acid
PubChem CID154177451
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-naphthalen-2-yliminoacetic acid
SMILESO=C(O)/C=N/c1ccc2ccccc2c1
InChIInChI=1S/C12H9NO2/c14-12(15)8-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,14,15)/b13-8+
InChIKeyNSUBQPRUKLROSJ-MDWZMJQESA-N
XLogP2.63
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-naphthalen-2-yliminoacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

(E)-4-hydroxy-3-(naphthalen-2-yliminomethyl)pent-3-en-2-one
CID 137203178
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
4-(naphthalen-2-ylmethylideneamino)benzoic acid
CID 71359398
2-(3-chloronaphthalen-1-yl)iminoacetic acid
CID 154296198
1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
CID 13497417
carbonic acid;naphthalene
CID 23113462
4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline
CID 102053185
naphthalene-2-carboxylic acid
CID 175967775
N-anthracen-2-yl-2-methylpropan-1-imine
CID 23369259
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
4-(naphthalen-2-ylmethylideneamino)benzamide
CID 791141
2,6-dimethoxy-4-(naphthalen-2-yliminomethyl)phenol
CID 1284379

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yliminoacetic acid?
The IUPAC name of 2-naphthalen-2-yliminoacetic acid (CID 154177451) is 2-naphthalen-2-yliminoacetic acid.
What is the SMILES notation for 2-naphthalen-2-yliminoacetic acid?
The canonical SMILES for 2-naphthalen-2-yliminoacetic acid is O=C(O)/C=N/c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yliminoacetic acid?
The InChIKey is NSUBQPRUKLROSJ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(15)8-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,14,15)/b13-8+.
What are the key properties of 2-naphthalen-2-yliminoacetic acid?
2-naphthalen-2-yliminoacetic acid has a molecular weight of 199.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yliminoacetic acid is sourced from PubChem (CID 154177451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).