tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol

C19H31Cl2NOZr-4 — CID 87997098

IUPACtert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol
SMILESC=[Zr](Cl)Cl.CC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.[CH2-]CCO.[CH3-]
InChIInChI=1S/C10H9.C4H10N.C3H7O.CH3.CH2.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-4(2,3)5;1-2-3-4;;;;;/h2-7H,1H3;5H,1-3H3;4H,1-3H2;1H3;1H2;2*1H;/q4*-1;;;;+2/p-2
InChIKeyHSVPJIKEZQLIOG-UHFFFAOYSA-L
MW451.59 g/mol
LogP6.70
Rot. Bonds1

About tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol

tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol (PubChem CID 87997098) has the molecular formula C19H31Cl2NOZr-4 and a molecular weight of 451.59 g/mol. Its IUPAC name is tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol.

Molecular Properties

Compound Nametert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol
PubChem CID87997098
Molecular FormulaC19H31Cl2NOZr-4
Molecular Weight451.59 g/mol
Exact Mass449.09
IUPAC Nametert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol
SMILESC=[Zr](Cl)Cl.CC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.[CH2-]CCO.[CH3-]
InChIInChI=1S/C10H9.C4H10N.C3H7O.CH3.CH2.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-4(2,3)5;1-2-3-4;;;;;/h2-7H,1H3;5H,1-3H3;4H,1-3H2;1H3;1H2;2*1H;/q4*-1;;;;+2/p-2
InChIKeyHSVPJIKEZQLIOG-UHFFFAOYSA-L
XLogP6.70
TPSA44.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.59
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 87865428
CID 87865428
tert-butylazanide;carbanide;dichloro(methylidene)titanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane
CID 87936465
tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride
CID 87936478
CID 87328657
CID 87328657
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
2-methyl-1H-inden-1-ide;prop-1-ene;zirconium(2+)
CID 174380307
CID 87864757
CID 87864757
dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide
CID 173179166
CID 157447863
CID 157447863
CID 87996994
CID 87996994

Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol?
The IUPAC name of tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol (CID 87997098) is tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol.
What is the SMILES notation for tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol?
The canonical SMILES for tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol is C=[Zr](Cl)Cl.CC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.[CH2-]CCO.[CH3-].
What is the InChIKey of tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol?
The InChIKey is HSVPJIKEZQLIOG-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C4H10N.C3H7O.CH3.CH2.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-4(2,3)5;1-2-3-4;;;;;/h2-7H,1H3;5H,1-3H3;4H,1-3H2;1H3;1H2;2*1H;/q4*-1;;;;+2/p-2.
What are the key properties of tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol?
tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol has a molecular weight of 451.59 g/mol, XLogP of 6.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;carbanide;dichloro(methylidene)zirconium;2-methyl-1H-inden-1-ide;propan-1-ol is sourced from PubChem (CID 87997098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).