carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde

C13H13CrNO4+3 — CID 86574941

IUPACcarbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde
SMILESCN(C)Cc1ccccc1C=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+3]
InChIInChI=1S/C10H13NO.3CO.Cr/c1-11(2)7-9-5-3-4-6-10(9)8-12;3*1-2;/h3-6,8H,7H2,1-2H3;;;;/q;;;;+3
InChIKeyBLKTXHHGRCKOEP-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.45
Rot. Bonds3

About carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde

carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde (PubChem CID 86574941) has the molecular formula C13H13CrNO4+3 and a molecular weight of 299.25 g/mol. Its IUPAC name is carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde.

Molecular Properties

Compound Namecarbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde
PubChem CID86574941
Molecular FormulaC13H13CrNO4+3
Molecular Weight299.25 g/mol
Exact Mass299.02
IUPAC Namecarbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde
SMILESCN(C)Cc1ccccc1C=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+3]
InChIInChI=1S/C10H13NO.3CO.Cr/c1-11(2)7-9-5-3-4-6-10(9)8-12;3*1-2;/h3-6,8H,7H2,1-2H3;;;;/q;;;;+3
InChIKeyBLKTXHHGRCKOEP-UHFFFAOYSA-N
XLogP1.45
TPSA80.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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(3+);2-[(dimethylamino)methyl]benzaldehyde?
The IUPAC name of carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde (CID 86574941) is carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde.
What is the SMILES notation for carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde?
The canonical SMILES for carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde is CN(C)Cc1ccccc1C=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+3].
What is the InChIKey of carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde?
The InChIKey is BLKTXHHGRCKOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.3CO.Cr/c1-11(2)7-9-5-3-4-6-10(9)8-12;3*1-2;/h3-6,8H,7H2,1-2H3;;;;/q;;;;+3.
What are the key properties of carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde?
carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde has a molecular weight of 299.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium(3+);2-[(dimethylamino)methyl]benzaldehyde is sourced from PubChem (CID 86574941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).