1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid

C12H8O3 — CID 88608545

IUPAC1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid
SMILESO=C=C1c2ccccc2C=CC1C(=O)O
InChIInChI=1S/C12H8O3/c13-7-11-9-4-2-1-3-8(9)5-6-10(11)12(14)15/h1-6,10H,(H,14,15)
InChIKeyFVISUMRZFMMSGE-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.63
Rot. Bonds1

About 1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid

1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid (PubChem CID 88608545) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid
PubChem CID88608545
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid
SMILESO=C=C1c2ccccc2C=CC1C(=O)O
InChIInChI=1S/C12H8O3/c13-7-11-9-4-2-1-3-8(9)5-6-10(11)12(14)15/h1-6,10H,(H,14,15)
InChIKeyFVISUMRZFMMSGE-UHFFFAOYSA-N
XLogP1.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(oxomethylidene)-3H-quinoline-3-carboxylic acid
CID 156790403
1H-indene-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 158788540
2,3,3-tris(1H-inden-1-yl)prop-2-enoic acid
CID 151679276
2-phenyl-2H-naphthalen-1-one
CID 141293759
4H-benzo[a]quinolizine-3-carboxylic acid
CID 135314294
2-inden-1-ylideneethenone
CID 15416513
tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione
CID 71438939
2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 98521083
acetic acid;ethyl 1H-indene-1-carboxylate
CID 174482190
ethyl 4-(oxomethylidene)-3H-quinoline-3-carboxylate
CID 156790402
[1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone
CID 141144433
7H-benzo[7]annulen-7-ol
CID 130126400

Frequently Asked Questions

What is the IUPAC name of 1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid?
The IUPAC name of 1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid (CID 88608545) is 1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid is O=C=C1c2ccccc2C=CC1C(=O)O.
What is the InChIKey of 1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid?
The InChIKey is FVISUMRZFMMSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-7-11-9-4-2-1-3-8(9)5-6-10(11)12(14)15/h1-6,10H,(H,14,15).
What are the key properties of 1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid?
1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 88608545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).