carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium

C17H13CrNO6 — CID 135046948

IUPACcarbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium
SMILESCOC(=[Cr])c1c(C)c2ccccc2n1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C12H13NO.5CO.Cr/c1-9-10-6-4-5-7-11(10)13(2)12(9)8-14-3;5*1-2;/h4-7H,1-3H3;;;;;;
InChIKeyZFAAHJIFFXSKPO-UHFFFAOYSA-N
MW379.29 g/mol
LogP1.97
Rot. Bonds2

About carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium

carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium (PubChem CID 135046948) has the molecular formula C17H13CrNO6 and a molecular weight of 379.29 g/mol. Its IUPAC name is carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium
PubChem CID135046948
Molecular FormulaC17H13CrNO6
Molecular Weight379.29 g/mol
Exact Mass379.01
IUPAC Namecarbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium
SMILESCOC(=[Cr])c1c(C)c2ccccc2n1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C12H13NO.5CO.Cr/c1-9-10-6-4-5-7-11(10)13(2)12(9)8-14-3;5*1-2;/h4-7H,1-3H3;;;;;;
InChIKeyZFAAHJIFFXSKPO-UHFFFAOYSA-N
XLogP1.97
TPSA113.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', '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;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium?
The IUPAC name of carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium (CID 135046948) is carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium.
What is the SMILES notation for carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium?
The canonical SMILES for carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium is COC(=[Cr])c1c(C)c2ccccc2n1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium?
The InChIKey is ZFAAHJIFFXSKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.5CO.Cr/c1-9-10-6-4-5-7-11(10)13(2)12(9)8-14-3;5*1-2;/h4-7H,1-3H3;;;;;;.
What are the key properties of carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium?
carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium has a molecular weight of 379.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(1,3-dimethylindol-2-yl)-methoxymethylidene]chromium is sourced from PubChem (CID 135046948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).