dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium

C10H10Cl2N2Ru — CID 154277578

IUPACdichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium
SMILESCl[Ru](Cl)=CC1=CC(=C2NC=CN2)CC=C1
InChIInChI=1S/C10H10N2.2ClH.Ru/c1-8-3-2-4-9(7-8)10-11-5-6-12-10;;;/h1-3,5-7,11-12H,4H2;2*1H;/q;;;+2/p-2
InChIKeyMZNCTQVRIXOUHU-UHFFFAOYSA-L
MW330.18 g/mol
LogP2.48
Rot. Bonds1

About dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium

dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium (PubChem CID 154277578) has the molecular formula C10H10Cl2N2Ru and a molecular weight of 330.18 g/mol. Its IUPAC name is dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium
PubChem CID154277578
Molecular FormulaC10H10Cl2N2Ru
Molecular Weight330.18 g/mol
Exact Mass329.93
IUPAC Namedichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium
SMILESCl[Ru](Cl)=CC1=CC(=C2NC=CN2)CC=C1
InChIInChI=1S/C10H10N2.2ClH.Ru/c1-8-3-2-4-9(7-8)10-11-5-6-12-10;;;/h1-3,5-7,11-12H,4H2;2*1H;/q;;;+2/p-2
InChIKeyMZNCTQVRIXOUHU-UHFFFAOYSA-L
XLogP2.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium with MolForge

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Related Compounds

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CID 10898747
1-(chloromethyl)-4-ethenylcyclohepta-1,3,5-triene
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CID 144559189
3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,9,11,13-hexaene-5-carbonitrile
CID 141073697
1-hydroxy-2,5-dihydrocyclopenta[b]pyridine
CID 70023370
1,3-dihydropyrrol-2-one;molecular hydrogen
CID 143760085
1H-cyclopenta[8]annulene;2H-triazepine
CID 174715149
2,3-dimethylidene-1,4-dihydropyrazine
CID 71347911
2-methylidene-1,3-dihydroimidazole
CID 22959169
7-methyl-1-methylidene-2,5,6,8-tetrahydroisoquinoline-7-carbonitrile
CID 166893007
cyclobut-2-en-1-ylidene(methylidene)azanium
CID 159432541

Frequently Asked Questions

What is the IUPAC name of dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium?
The IUPAC name of dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium (CID 154277578) is dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium is Cl[Ru](Cl)=CC1=CC(=C2NC=CN2)CC=C1.
What is the InChIKey of dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium?
The InChIKey is MZNCTQVRIXOUHU-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H10N2.2ClH.Ru/c1-8-3-2-4-9(7-8)10-11-5-6-12-10;;;/h1-3,5-7,11-12H,4H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium?
dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium has a molecular weight of 330.18 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[3-(1,3-dihydroimidazol-2-ylidene)cyclohexa-1,5-dien-1-yl]methylidene]ruthenium is sourced from PubChem (CID 154277578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).