bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)

C32H38N2O6Sn2 — CID 5479998

IUPACbis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)
SMILESC[Sn]C.C[Sn]C.O=C(O)CCN/C=C1\C(=O)C=Cc2ccccc21.O=C(O)CCN/C=C1\C(=O)C=Cc2ccccc21
InChIInChI=1S/2C14H13NO3.4CH3.2Sn/c2*16-13-6-5-10-3-1-2-4-11(10)12(13)9-15-8-7-14(17)18;;;;;;/h2*1-6,9,15H,7-8H2,(H,17,18);4*1H3;;/b2*12-9-;;;;;;
InChIKeyADUGMESEMLBIEH-XRSVPHADSA-N
MW784.09 g/mol
LogP4.95
Rot. Bonds8

About bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)

bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid) (PubChem CID 5479998) has the molecular formula C32H38N2O6Sn2 and a molecular weight of 784.09 g/mol. Its IUPAC name is bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid).

Molecular Properties

Compound Namebis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)
PubChem CID5479998
Molecular FormulaC32H38N2O6Sn2
Molecular Weight784.09 g/mol
Exact Mass786.08
IUPAC Namebis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)
SMILESC[Sn]C.C[Sn]C.O=C(O)CCN/C=C1\C(=O)C=Cc2ccccc21.O=C(O)CCN/C=C1\C(=O)C=Cc2ccccc21
InChIInChI=1S/2C14H13NO3.4CH3.2Sn/c2*16-13-6-5-10-3-1-2-4-11(10)12(13)9-15-8-7-14(17)18;;;;;;/h2*1-6,9,15H,7-8H2,(H,17,18);4*1H3;;/b2*12-9-;;;;;;
InChIKeyADUGMESEMLBIEH-XRSVPHADSA-N
XLogP4.95
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500784.09
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid
CID 10791509
(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
1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one
CID 173281078
bis((2S)-3-(4-hydroxyphenyl)-2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid);oxo(oxovanadiooxy)vanadium
CID 11320363
3-[4-hydroxy-5-[3-(2-oxonaphthalen-1-ylidene)prop-1-enyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 136611209
(1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one
CID 6121926
2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid
CID 67906959
acetic acid;naphthalene-1,4-dione
CID 163817542
methyl 1-(4-ethylphenyl)-5-hydroxy-2-methyl-4-[(2-oxonaphthalen-1-ylidene)methyl]pyrrole-3-carboxylate
CID 137021959

Frequently Asked Questions

What is the IUPAC name of bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)?
The IUPAC name of bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid) (CID 5479998) is bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid).
What is the SMILES notation for bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)?
The canonical SMILES for bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid) is C[Sn]C.C[Sn]C.O=C(O)CCN/C=C1\C(=O)C=Cc2ccccc21.O=C(O)CCN/C=C1\C(=O)C=Cc2ccccc21.
What is the InChIKey of bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)?
The InChIKey is ADUGMESEMLBIEH-XRSVPHADSA-N. The full InChI is InChI=1S/2C14H13NO3.4CH3.2Sn/c2*16-13-6-5-10-3-1-2-4-11(10)12(13)9-15-8-7-14(17)18;;;;;;/h2*1-6,9,15H,7-8H2,(H,17,18);4*1H3;;/b2*12-9-;;;;;;.
What are the key properties of bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)?
bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid) has a molecular weight of 784.09 g/mol, XLogP of 4.95, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid) is sourced from PubChem (CID 5479998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).