dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium

C15H21Cl2NO3Ru — CID 140726756

IUPACdichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium
SMILESCC(C)COC(=O)Nc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C15H21NO3.2ClH.Ru/c1-10(2)9-18-15(17)16-13-6-7-14(12(5)8-13)19-11(3)4;;;/h5-8,10-11H,9H2,1-4H3,(H,16,17);2*1H;/q;;;+2/p-2
InChIKeyQLPDEFSITVODPR-UHFFFAOYSA-L
MW435.31 g/mol
LogP4.75
Rot. Bonds6

About dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium

dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium (PubChem CID 140726756) has the molecular formula C15H21Cl2NO3Ru and a molecular weight of 435.31 g/mol. Its IUPAC name is dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium
PubChem CID140726756
Molecular FormulaC15H21Cl2NO3Ru
Molecular Weight435.31 g/mol
Exact Mass434.99
IUPAC Namedichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium
SMILESCC(C)COC(=O)Nc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C15H21NO3.2ClH.Ru/c1-10(2)9-18-15(17)16-13-6-7-14(12(5)8-13)19-11(3)4;;;/h5-8,10-11H,9H2,1-4H3,(H,16,17);2*1H;/q;;;+2/p-2
InChIKeyQLPDEFSITVODPR-UHFFFAOYSA-L
XLogP4.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59273360
dichloro-[[2-propan-2-yloxy-5-[(3,3,3-trifluoro-2-oxopropanoyl)amino]phenyl]methylidene]ruthenium
CID 59273372
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium;1,1-difluoroethene;1-ethenoxybutane;1-(2-fluoroprop-1-enoxy)butane;1,1,2-trifluoroprop-1-ene
CID 157269486
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 170653168
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
CID 64786534
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 140664604
dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153434955
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
CID 167346276
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281

Frequently Asked Questions

What is the IUPAC name of dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium (CID 140726756) is dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium is CC(C)COC(=O)Nc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1.
What is the InChIKey of dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The InChIKey is QLPDEFSITVODPR-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H21NO3.2ClH.Ru/c1-10(2)9-18-15(17)16-13-6-7-14(12(5)8-13)19-11(3)4;;;/h5-8,10-11H,9H2,1-4H3,(H,16,17);2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium?
dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium has a molecular weight of 435.31 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium is sourced from PubChem (CID 140726756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).