carbon monoxide;chromium;ethyl 2-isocyanoacetate

C10H7CrNO7 — CID 134902568

IUPACcarbon monoxide;chromium;ethyl 2-isocyanoacetate
SMILES[C-]#[N+]CC(=O)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C5H7NO2.5CO.Cr/c1-3-8-5(7)4-6-2;5*1-2;/h3-4H2,1H3;;;;;;
InChIKeyUNHVHWPZXWZJRG-UHFFFAOYSA-N
MW305.16 g/mol
LogP0.28
Rot. Bonds2

About carbon monoxide;chromium;ethyl 2-isocyanoacetate

carbon monoxide;chromium;ethyl 2-isocyanoacetate (PubChem CID 134902568) has the molecular formula C10H7CrNO7 and a molecular weight of 305.16 g/mol. Its IUPAC name is carbon monoxide;chromium;ethyl 2-isocyanoacetate.

Molecular Properties

Compound Namecarbon monoxide;chromium;ethyl 2-isocyanoacetate
PubChem CID134902568
Molecular FormulaC10H7CrNO7
Molecular Weight305.16 g/mol
Exact Mass304.96
IUPAC Namecarbon monoxide;chromium;ethyl 2-isocyanoacetate
SMILES[C-]#[N+]CC(=O)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C5H7NO2.5CO.Cr/c1-3-8-5(7)4-6-2;5*1-2;/h3-4H2,1H3;;;;;;
InChIKeyUNHVHWPZXWZJRG-UHFFFAOYSA-N
XLogP0.28
TPSA130.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 50.28
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'}

Analyze carbon monoxide;chromium;ethyl 2-isocyanoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;ethyl 2-isocyanoacetate?
The IUPAC name of carbon monoxide;chromium;ethyl 2-isocyanoacetate (CID 134902568) is carbon monoxide;chromium;ethyl 2-isocyanoacetate.
What is the SMILES notation for carbon monoxide;chromium;ethyl 2-isocyanoacetate?
The canonical SMILES for carbon monoxide;chromium;ethyl 2-isocyanoacetate is [C-]#[N+]CC(=O)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;ethyl 2-isocyanoacetate?
The InChIKey is UNHVHWPZXWZJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.5CO.Cr/c1-3-8-5(7)4-6-2;5*1-2;/h3-4H2,1H3;;;;;;.
What are the key properties of carbon monoxide;chromium;ethyl 2-isocyanoacetate?
carbon monoxide;chromium;ethyl 2-isocyanoacetate has a molecular weight of 305.16 g/mol, XLogP of 0.28, 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-isocyanoacetate is sourced from PubChem (CID 134902568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).