chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate

C24H20ClNO3Sn — CID 72701504

IUPACchloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate
SMILESCl[Sn+](c1ccccc1)c1ccccc1.O=c1c(/C=N/CC[O-])coc2ccccc12
InChIInChI=1S/C12H10NO3.2C6H5.ClH.Sn/c14-6-5-13-7-9-8-16-11-4-2-1-3-10(11)12(9)15;2*1-2-4-6-5-3-1;;/h1-4,7-8H,5-6H2;2*1-5H;1H;/q-1;;;;+2/p-1/b13-7+;;;;
InChIKeyYVTFZPCPTDFTIG-BHZDOTFFSA-M
MW524.59 g/mol
LogP2.60
Rot. Bonds5

About chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate

chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate (PubChem CID 72701504) has the molecular formula C24H20ClNO3Sn and a molecular weight of 524.59 g/mol. Its IUPAC name is chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate.

Molecular Properties

Compound Namechloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate
PubChem CID72701504
Molecular FormulaC24H20ClNO3Sn
Molecular Weight524.59 g/mol
Exact Mass525.02
IUPAC Namechloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate
SMILESCl[Sn+](c1ccccc1)c1ccccc1.O=c1c(/C=N/CC[O-])coc2ccccc12
InChIInChI=1S/C12H10NO3.2C6H5.ClH.Sn/c14-6-5-13-7-9-8-16-11-4-2-1-3-10(11)12(9)15;2*1-2-4-6-5-3-1;;/h1-4,7-8H,5-6H2;2*1-5H;1H;/q-1;;;;+2/p-1/b13-7+;;;;
InChIKeyYVTFZPCPTDFTIG-BHZDOTFFSA-M
XLogP2.60
TPSA65.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.59
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-(4-oxochromen-3-yl)methylideneamino]urea
CID 5395362
3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one
CID 155919966
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide
CID 177472748
N-methyl-1-(4-oxochromen-3-yl)methanimine oxide
CID 1480882
3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one
CID 165344294
2-bromo-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 999899
N-[(4-oxochromen-3-yl)methylideneamino]isoquinoline-1-carboxamide
CID 175293319
2-hydroxy-4-[(4-oxochromen-3-yl)methylideneamino]benzoic acid
CID 101100749
2-[(4-chlorophenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944962
3-nitro-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 1085155
2-(4-chlorophenyl)-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
CID 4203641
(4Z)-2-(4-chlorophenyl)-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
CID 6523640

Frequently Asked Questions

What is the IUPAC name of chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate?
The IUPAC name of chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate (CID 72701504) is chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate.
What is the SMILES notation for chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate?
The canonical SMILES for chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate is Cl[Sn+](c1ccccc1)c1ccccc1.O=c1c(/C=N/CC[O-])coc2ccccc12.
What is the InChIKey of chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate?
The InChIKey is YVTFZPCPTDFTIG-BHZDOTFFSA-M. The full InChI is InChI=1S/C12H10NO3.2C6H5.ClH.Sn/c14-6-5-13-7-9-8-16-11-4-2-1-3-10(11)12(9)15;2*1-2-4-6-5-3-1;;/h1-4,7-8H,5-6H2;2*1-5H;1H;/q-1;;;;+2/p-1/b13-7+;;;;.
What are the key properties of chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate?
chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate has a molecular weight of 524.59 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(diphenyl)stannanylium;2-[(4-oxochromen-3-yl)methylideneamino]ethanolate is sourced from PubChem (CID 72701504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).