carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium

C15H15CrNO7 — CID 10915703

IUPACcarbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium
SMILESCCOC(=O)/C=C/C(=[Cr])N1CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H15NO2.5CO.Cr/c1-2-13-10(12)6-5-9-11-7-3-4-8-11;5*1-2;/h5-6H,2-4,7-8H2,1H3;;;;;;/b6-5+;;;;;;
InChIKeyCFNYAHFUCYTBOA-TXPPQYTASA-N
MW373.28 g/mol
LogP0.69
Rot. Bonds4

About carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium

carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium (PubChem CID 10915703) has the molecular formula C15H15CrNO7 and a molecular weight of 373.28 g/mol. Its IUPAC name is carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium
PubChem CID10915703
Molecular FormulaC15H15CrNO7
Molecular Weight373.28 g/mol
Exact Mass373.03
IUPAC Namecarbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium
SMILESCCOC(=O)/C=C/C(=[Cr])N1CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H15NO2.5CO.Cr/c1-2-13-10(12)6-5-9-11-7-3-4-8-11;5*1-2;/h5-6H,2-4,7-8H2,1H3;;;;;;/b6-5+;;;;;;
InChIKeyCFNYAHFUCYTBOA-TXPPQYTASA-N
XLogP0.69
TPSA129.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium?
The IUPAC name of carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium (CID 10915703) is carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium.
What is the SMILES notation for carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium?
The canonical SMILES for carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium is CCOC(=O)/C=C/C(=[Cr])N1CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium?
The InChIKey is CFNYAHFUCYTBOA-TXPPQYTASA-N. The full InChI is InChI=1S/C10H15NO2.5CO.Cr/c1-2-13-10(12)6-5-9-11-7-3-4-8-11;5*1-2;/h5-6H,2-4,7-8H2,1H3;;;;;;/b6-5+;;;;;;.
What are the key properties of carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium?
carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium has a molecular weight of 373.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(E)-4-ethoxy-4-oxo-1-pyrrolidin-1-ylbut-2-enylidene]chromium is sourced from PubChem (CID 10915703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).