acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride

C12H21Cl2N2O2SiV-3 — CID 19611932

IUPACacetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride
SMILESCC([NH-])=O.CC([NH-])=O.C[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[V+2]
InChIInChI=1S/C8H13Si.2C2H5NO.2ClH.V/c1-9(2,3)8-6-4-5-7-8;2*1-2(3)4;;;/h4,6H,5H2,1-3H3;2*1H3,(H2,3,4);2*1H;/q-1;;;;;+2/p-4
InChIKeyCSHIXEQSEIIMMV-UHFFFAOYSA-J
MW375.25 g/mol
LogP-2.27
Rot. Bonds1

About acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride

acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride (PubChem CID 19611932) has the molecular formula C12H21Cl2N2O2SiV-3 and a molecular weight of 375.25 g/mol. Its IUPAC name is acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride.

Molecular Properties

Compound Nameacetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride
PubChem CID19611932
Molecular FormulaC12H21Cl2N2O2SiV-3
Molecular Weight375.25 g/mol
Exact Mass374.02
IUPAC Nameacetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride
SMILESCC([NH-])=O.CC([NH-])=O.C[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[V+2]
InChIInChI=1S/C8H13Si.2C2H5NO.2ClH.V/c1-9(2,3)8-6-4-5-7-8;2*1-2(3)4;;;/h4,6H,5H2,1-3H3;2*1H3,(H2,3,4);2*1H;/q-1;;;;;+2/p-4
InChIKeyCSHIXEQSEIIMMV-UHFFFAOYSA-J
XLogP-2.27
TPSA81.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride?
The IUPAC name of acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride (CID 19611932) is acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride.
What is the SMILES notation for acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride?
The canonical SMILES for acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride is CC([NH-])=O.CC([NH-])=O.C[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[V+2].
What is the InChIKey of acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride?
The InChIKey is CSHIXEQSEIIMMV-UHFFFAOYSA-J. The full InChI is InChI=1S/C8H13Si.2C2H5NO.2ClH.V/c1-9(2,3)8-6-4-5-7-8;2*1-2(3)4;;;/h4,6H,5H2,1-3H3;2*1H3,(H2,3,4);2*1H;/q-1;;;;;+2/p-4.
What are the key properties of acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride?
acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride has a molecular weight of 375.25 g/mol, XLogP of -2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylazanide;cyclopenta-1,4-dien-1-yl(trimethyl)silane;vanadium(2+);dichloride is sourced from PubChem (CID 19611932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).