carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium

C13H13CrNO6 — CID 10892893

IUPACcarbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium
SMILESCN(C)C1=CC(=[Cr])OC1(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C8H13NO.5CO.Cr/c1-8(2)7(9(3)4)5-6-10-8;5*1-2;/h5H,1-4H3;;;;;;
InChIKeyXNCDRKOZEGMBNC-UHFFFAOYSA-N
MW331.24 g/mol
LogP0.73
Rot. Bonds1

About carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium

carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium (PubChem CID 10892893) has the molecular formula C13H13CrNO6 and a molecular weight of 331.24 g/mol. Its IUPAC name is carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium
PubChem CID10892893
Molecular FormulaC13H13CrNO6
Molecular Weight331.24 g/mol
Exact Mass331.01
IUPAC Namecarbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium
SMILESCN(C)C1=CC(=[Cr])OC1(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C8H13NO.5CO.Cr/c1-8(2)7(9(3)4)5-6-10-8;5*1-2;/h5H,1-4H3;;;;;;
InChIKeyXNCDRKOZEGMBNC-UHFFFAOYSA-N
XLogP0.73
TPSA111.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 50.73
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'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium?
The IUPAC name of carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium (CID 10892893) is carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium.
What is the SMILES notation for carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium?
The canonical SMILES for carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium is CN(C)C1=CC(=[Cr])OC1(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium?
The InChIKey is XNCDRKOZEGMBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.5CO.Cr/c1-8(2)7(9(3)4)5-6-10-8;5*1-2;/h5H,1-4H3;;;;;;.
What are the key properties of carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium?
carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium has a molecular weight of 331.24 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[4-(dimethylamino)-5,5-dimethylfuran-2-ylidene]chromium is sourced from PubChem (CID 10892893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).