[2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide

C20H12N3O3- — CID 135608726

IUPAC[2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide
SMILES[N-]=C=C(/N=N/c1ccccc1C(=O)O)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H12N3O3/c21-12-18(23-22-17-8-4-3-7-16(17)20(25)26)19(24)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,(H,25,26)/q-1/b23-22+
InChIKeyMPBMOFSRHYZKTC-GHVJWSGMSA-N
MW342.33 g/mol
LogP4.63
Rot. Bonds5

About [2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide

[2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide (PubChem CID 135608726) has the molecular formula C20H12N3O3- and a molecular weight of 342.33 g/mol. Its IUPAC name is [2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide.

Molecular Properties

Compound Name[2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide
PubChem CID135608726
Molecular FormulaC20H12N3O3-
Molecular Weight342.33 g/mol
Exact Mass342.09
IUPAC Name[2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide
SMILES[N-]=C=C(/N=N/c1ccccc1C(=O)O)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H12N3O3/c21-12-18(23-22-17-8-4-3-7-16(17)20(25)26)19(24)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,(H,25,26)/q-1/b23-22+
InChIKeyMPBMOFSRHYZKTC-GHVJWSGMSA-N
XLogP4.63
TPSA101.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(2-carboxyphenyl)diazenyl]-3-ethoxy-3-oxoprop-1-enylidene]azanide
CID 135796946
2-[[1-imino-3-(4-methylphenyl)-3-oxoprop-1-en-2-yl]diazenyl]benzoic acid
CID 176516674
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
naphthalene-2-carboxylic acid
CID 175967775
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
naphthalene;phthalic acid
CID 158069637
2-naphthalen-2-yl-2-oxoacetyl chloride
CID 19347531
hexacene-2-carboxylic acid
CID 87430666
dinaphthalen-2-ylmethanone
CID 10945915
(2-nitroso-3-oxo-3-phenylprop-1-enylidene)azanide
CID 136679784
2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid
CID 5378627

Frequently Asked Questions

What is the IUPAC name of [2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide?
The IUPAC name of [2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide (CID 135608726) is [2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide.
What is the SMILES notation for [2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide?
The canonical SMILES for [2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide is [N-]=C=C(/N=N/c1ccccc1C(=O)O)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide?
The InChIKey is MPBMOFSRHYZKTC-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H12N3O3/c21-12-18(23-22-17-8-4-3-7-16(17)20(25)26)19(24)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,(H,25,26)/q-1/b23-22+.
What are the key properties of [2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide?
[2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide has a molecular weight of 342.33 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-carboxyphenyl)diazenyl]-3-naphthalen-2-yl-3-oxoprop-1-enylidene]azanide is sourced from PubChem (CID 135608726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).