carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide

C17H21CrNO4 — CID 11233560

IUPACcarbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide
SMILESCc1cccc(C)c1N(C)C(=O)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C14H21NO.3CO.Cr/c1-10-8-7-9-11(2)12(10)15(6)13(16)14(3,4)5;3*1-2;/h7-9H,1-6H3;;;;
InChIKeyWAPNLPFYYPIOGZ-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.20
Rot. Bonds1

About carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide

carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide (PubChem CID 11233560) has the molecular formula C17H21CrNO4 and a molecular weight of 355.35 g/mol. Its IUPAC name is carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Namecarbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide
PubChem CID11233560
Molecular FormulaC17H21CrNO4
Molecular Weight355.35 g/mol
Exact Mass355.09
IUPAC Namecarbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide
SMILESCc1cccc(C)c1N(C)C(=O)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C14H21NO.3CO.Cr/c1-10-8-7-9-11(2)12(10)15(6)13(16)14(3,4)5;3*1-2;/h7-9H,1-6H3;;;;
InChIKeyWAPNLPFYYPIOGZ-UHFFFAOYSA-N
XLogP3.20
TPSA80.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide?
The IUPAC name of carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide (CID 11233560) is carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide is Cc1cccc(C)c1N(C)C(=O)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide?
The InChIKey is WAPNLPFYYPIOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.3CO.Cr/c1-10-8-7-9-11(2)12(10)15(6)13(16)14(3,4)5;3*1-2;/h7-9H,1-6H3;;;;.
What are the key properties of carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide?
carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide has a molecular weight of 355.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 11233560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).