carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium

C14H17CrNO8S — CID 10982487

IUPACcarbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium
SMILESCC(CC(=[Cr])N1CCCC1)OS(C)(=O)=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C9H17NO3S.5CO.Cr/c1-9(13-14(2,11)12)5-8-10-6-3-4-7-10;5*1-2;/h9H,3-7H2,1-2H3;;;;;;
InChIKeyCIYJOXHDURISEG-UHFFFAOYSA-N
MW411.35 g/mol
LogP0.33
Rot. Bonds5

About carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium

carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium (PubChem CID 10982487) has the molecular formula C14H17CrNO8S and a molecular weight of 411.35 g/mol. Its IUPAC name is carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium.

Molecular Properties

Compound Namecarbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium
PubChem CID10982487
Molecular FormulaC14H17CrNO8S
Molecular Weight411.35 g/mol
Exact Mass411.01
IUPAC Namecarbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium
SMILESCC(CC(=[Cr])N1CCCC1)OS(C)(=O)=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C9H17NO3S.5CO.Cr/c1-9(13-14(2,11)12)5-8-10-6-3-4-7-10;5*1-2;/h9H,3-7H2,1-2H3;;;;;;
InChIKeyCIYJOXHDURISEG-UHFFFAOYSA-N
XLogP0.33
TPSA146.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium?
The IUPAC name of carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium (CID 10982487) is carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium.
What is the SMILES notation for carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium?
The canonical SMILES for carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium is CC(CC(=[Cr])N1CCCC1)OS(C)(=O)=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium?
The InChIKey is CIYJOXHDURISEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S.5CO.Cr/c1-9(13-14(2,11)12)5-8-10-6-3-4-7-10;5*1-2;/h9H,3-7H2,1-2H3;;;;;;.
What are the key properties of carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium?
carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium has a molecular weight of 411.35 g/mol, XLogP of 0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(3-methylsulfonyloxy-1-pyrrolidin-1-ylbutylidene)chromium is sourced from PubChem (CID 10982487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).