carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine

C16H19CrNO3 — CID 134884111

IUPACcarbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine
SMILESC=CCc1ccccc1C(C)N(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H19N.3CO.Cr/c1-5-8-12-9-6-7-10-13(12)11(2)14(3)4;3*1-2;/h5-7,9-11H,1,8H2,2-4H3;;;;
InChIKeyCATIZKBLCRGJGA-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.92
Rot. Bonds4

About carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine

carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine (PubChem CID 134884111) has the molecular formula C16H19CrNO3 and a molecular weight of 325.33 g/mol. Its IUPAC name is carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine.

Molecular Properties

Compound Namecarbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine
PubChem CID134884111
Molecular FormulaC16H19CrNO3
Molecular Weight325.33 g/mol
Exact Mass325.08
IUPAC Namecarbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine
SMILESC=CCc1ccccc1C(C)N(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H19N.3CO.Cr/c1-5-8-12-9-6-7-10-13(12)11(2)14(3)4;3*1-2;/h5-7,9-11H,1,8H2,2-4H3;;;;
InChIKeyCATIZKBLCRGJGA-UHFFFAOYSA-N
XLogP2.92
TPSA62.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.92
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine?
The IUPAC name of carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine (CID 134884111) is carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine.
What is the SMILES notation for carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine?
The canonical SMILES for carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine is C=CCc1ccccc1C(C)N(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine?
The InChIKey is CATIZKBLCRGJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.3CO.Cr/c1-5-8-12-9-6-7-10-13(12)11(2)14(3)4;3*1-2;/h5-7,9-11H,1,8H2,2-4H3;;;;.
What are the key properties of carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine?
carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine has a molecular weight of 325.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;N,N-dimethyl-1-(2-prop-2-enylphenyl)ethanamine is sourced from PubChem (CID 134884111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).