dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium

C11H11Cl2NO2Ru — CID 153489731

IUPACdichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium
SMILESCCOC(=O)/C=N\c1ccccc1C=[Ru](Cl)Cl
InChIInChI=1S/C11H11NO2.2ClH.Ru/c1-3-14-11(13)8-12-10-7-5-4-6-9(10)2;;;/h2,4-8H,3H2,1H3;2*1H;/q;;;+2/p-2/b12-8-;;;
InChIKeyVWKYDTLCBIIGGE-DMIJZFDKSA-L
MW361.19 g/mol
LogP3.03
Rot. Bonds4

About dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium

dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium (PubChem CID 153489731) has the molecular formula C11H11Cl2NO2Ru and a molecular weight of 361.19 g/mol. Its IUPAC name is dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium
PubChem CID153489731
Molecular FormulaC11H11Cl2NO2Ru
Molecular Weight361.19 g/mol
Exact Mass360.92
IUPAC Namedichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium
SMILESCCOC(=O)/C=N\c1ccccc1C=[Ru](Cl)Cl
InChIInChI=1S/C11H11NO2.2ClH.Ru/c1-3-14-11(13)8-12-10-7-5-4-6-9(10)2;;;/h2,4-8H,3H2,1H3;2*1H;/q;;;+2/p-2/b12-8-;;;
InChIKeyVWKYDTLCBIIGGE-DMIJZFDKSA-L
XLogP3.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide;dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium
CID 167994815
ethyl 2-phenyliminoacetate
CID 7095267
ethyl 2-(2,4-dimethoxyphenyl)iminoacetate
CID 101411260
ethyl 3-(2-isothiocyanatophenyl)prop-2-enoate
CID 169480338
ethyl 2-(benzylidenehydrazinylidene)acetate
CID 71441090
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
ethyl 2-phenylmethoxycarbonyliminoacetate
CID 71407437
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806

Frequently Asked Questions

What is the IUPAC name of dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium (CID 153489731) is dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium is CCOC(=O)/C=N\c1ccccc1C=[Ru](Cl)Cl.
What is the InChIKey of dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium?
The InChIKey is VWKYDTLCBIIGGE-DMIJZFDKSA-L. The full InChI is InChI=1S/C11H11NO2.2ClH.Ru/c1-3-14-11(13)8-12-10-7-5-4-6-9(10)2;;;/h2,4-8H,3H2,1H3;2*1H;/q;;;+2/p-2/b12-8-;;;.
What are the key properties of dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium?
dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium has a molecular weight of 361.19 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium is sourced from PubChem (CID 153489731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).