carbon monoxide;chromium;ethyl 2-isocyanopropanoate

C11H9CrNO7 — CID 134902623

IUPACcarbon monoxide;chromium;ethyl 2-isocyanopropanoate
SMILES[C-]#[N+]C(C)C(=O)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C6H9NO2.5CO.Cr/c1-4-9-6(8)5(2)7-3;5*1-2;/h5H,4H2,1-2H3;;;;;;
InChIKeyKWCKUXDUTNRQDB-UHFFFAOYSA-N
MW319.19 g/mol
LogP0.67
Rot. Bonds2

About carbon monoxide;chromium;ethyl 2-isocyanopropanoate

carbon monoxide;chromium;ethyl 2-isocyanopropanoate (PubChem CID 134902623) has the molecular formula C11H9CrNO7 and a molecular weight of 319.19 g/mol. Its IUPAC name is carbon monoxide;chromium;ethyl 2-isocyanopropanoate.

Molecular Properties

Compound Namecarbon monoxide;chromium;ethyl 2-isocyanopropanoate
PubChem CID134902623
Molecular FormulaC11H9CrNO7
Molecular Weight319.19 g/mol
Exact Mass318.98
IUPAC Namecarbon monoxide;chromium;ethyl 2-isocyanopropanoate
SMILES[C-]#[N+]C(C)C(=O)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C6H9NO2.5CO.Cr/c1-4-9-6(8)5(2)7-3;5*1-2;/h5H,4H2,1-2H3;;;;;;
InChIKeyKWCKUXDUTNRQDB-UHFFFAOYSA-N
XLogP0.67
TPSA130.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;ethyl 2-isocyanopropanoate?
The IUPAC name of carbon monoxide;chromium;ethyl 2-isocyanopropanoate (CID 134902623) is carbon monoxide;chromium;ethyl 2-isocyanopropanoate.
What is the SMILES notation for carbon monoxide;chromium;ethyl 2-isocyanopropanoate?
The canonical SMILES for carbon monoxide;chromium;ethyl 2-isocyanopropanoate is [C-]#[N+]C(C)C(=O)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;ethyl 2-isocyanopropanoate?
The InChIKey is KWCKUXDUTNRQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.5CO.Cr/c1-4-9-6(8)5(2)7-3;5*1-2;/h5H,4H2,1-2H3;;;;;;.
What are the key properties of carbon monoxide;chromium;ethyl 2-isocyanopropanoate?
carbon monoxide;chromium;ethyl 2-isocyanopropanoate has a molecular weight of 319.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;ethyl 2-isocyanopropanoate is sourced from PubChem (CID 134902623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).