diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid

C25H21NO3Sn — CID 10791509

IUPACdiphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid
SMILESO=C(O)CN/C=C1\C(=O)C=Cc2ccccc21.c1ccc([Sn]c2ccccc2)cc1
InChIInChI=1S/C13H11NO3.2C6H5.Sn/c15-12-6-5-9-3-1-2-4-10(9)11(12)7-14-8-13(16)17;2*1-2-4-6-5-3-1;/h1-7,14H,8H2,(H,16,17);2*1-5H;/b11-7-;;;
InChIKeySBELHEUHZURJIJ-DYCOYGMPSA-N
MW502.16 g/mol
LogP2.64
Rot. Bonds5

About diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid

diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid (PubChem CID 10791509) has the molecular formula C25H21NO3Sn and a molecular weight of 502.16 g/mol. Its IUPAC name is diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid.

Molecular Properties

Compound Namediphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid
PubChem CID10791509
Molecular FormulaC25H21NO3Sn
Molecular Weight502.16 g/mol
Exact Mass503.05
IUPAC Namediphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid
SMILESO=C(O)CN/C=C1\C(=O)C=Cc2ccccc21.c1ccc([Sn]c2ccccc2)cc1
InChIInChI=1S/C13H11NO3.2C6H5.Sn/c15-12-6-5-9-3-1-2-4-10(9)11(12)7-14-8-13(16)17;2*1-2-4-6-5-3-1;/h1-7,14H,8H2,(H,16,17);2*1-5H;/b11-7-;;;
InChIKeySBELHEUHZURJIJ-DYCOYGMPSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)
CID 5479998
(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one
CID 6610966
bis((2S)-2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]-3-phenylpropanoic acid);oxo(oxovanadiooxy)vanadium
CID 11251316
1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium
CID 6850302
(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
CID 59427156
bis((2S)-3-(4-hydroxyphenyl)-2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid);oxo(oxovanadiooxy)vanadium
CID 11320363
(1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one
CID 6121926
1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one
CID 173281078
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 3096049
2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid
CID 67906959
(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135996792
(1Z)-1-[(N-hydroxy-4-nitroanilino)methylidene]naphthalen-2-one
CID 12963086

Frequently Asked Questions

What is the IUPAC name of diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid?
The IUPAC name of diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid (CID 10791509) is diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid.
What is the SMILES notation for diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid?
The canonical SMILES for diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid is O=C(O)CN/C=C1\C(=O)C=Cc2ccccc21.c1ccc([Sn]c2ccccc2)cc1.
What is the InChIKey of diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid?
The InChIKey is SBELHEUHZURJIJ-DYCOYGMPSA-N. The full InChI is InChI=1S/C13H11NO3.2C6H5.Sn/c15-12-6-5-9-3-1-2-4-10(9)11(12)7-14-8-13(16)17;2*1-2-4-6-5-3-1;/h1-7,14H,8H2,(H,16,17);2*1-5H;/b11-7-;;;.
What are the key properties of diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid?
diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid has a molecular weight of 502.16 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid is sourced from PubChem (CID 10791509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).