carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium

C20H19CrNO6 — CID 135004183

IUPACcarbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium
SMILESCCOC(=[Cr])/C=C(\c1ccccc1)N1CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H19NO.5CO.Cr/c1-2-17-13-10-15(16-11-6-7-12-16)14-8-4-3-5-9-14;5*1-2;/h3-5,8-10H,2,6-7,11-12H2,1H3;;;;;;/b15-10+;;;;;;
InChIKeySBTYOLSDEIFHMO-JYWHLQINSA-N
MW421.37 g/mol
LogP2.65
Rot. Bonds5

About carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium

carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium (PubChem CID 135004183) has the molecular formula C20H19CrNO6 and a molecular weight of 421.37 g/mol. Its IUPAC name is carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium
PubChem CID135004183
Molecular FormulaC20H19CrNO6
Molecular Weight421.37 g/mol
Exact Mass421.06
IUPAC Namecarbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium
SMILESCCOC(=[Cr])/C=C(\c1ccccc1)N1CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H19NO.5CO.Cr/c1-2-17-13-10-15(16-11-6-7-12-16)14-8-4-3-5-9-14;5*1-2;/h3-5,8-10H,2,6-7,11-12H2,1H3;;;;;;/b15-10+;;;;;;
InChIKeySBTYOLSDEIFHMO-JYWHLQINSA-N
XLogP2.65
TPSA111.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 52.65
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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Related Compounds

ethyl (E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enoate
CID 11107610
carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium
CID 11114401
[(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
CID 11783526
(3E,5Z)-N-[(4-fluorophenyl)methyl]-7-methoxy-N-octylocta-3,5,7-trien-4-amine
CID 142549997
[(E)-4-[benzyl(prop-2-enyl)amino]but-2-enyl] acetate
CID 11737043
1-[(E)-2-methoxy-1-phenylethenyl]pyrrolidine
CID 15150604
(E)-N-benzyl-5-methoxy-N-(tributylstannylmethyl)pent-3-en-1-amine
CID 15305734
(E)-N-benzyl-5-methoxy-4-methyl-N-(tributylstannylmethyl)pent-3-en-1-amine
CID 15305736
ethyl (2E)-2-(2-benzyl-1,3,6,7-tetrahydrocyclohepta[c]pyrrol-5-ylidene)acetate
CID 16663439
ethyl (2Z)-2-(2-benzyl-1,3,6,7-tetrahydrocyclohepta[c]pyrrol-5-ylidene)acetate
CID 16663440
(1-Benzyl-2,5-dibutyl-4-pyridinylidene)chromium;carbon monoxide
CID 134867539
[(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
CID 134867562

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium?
The IUPAC name of carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium (CID 135004183) is carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium.
What is the SMILES notation for carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium?
The canonical SMILES for carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium is CCOC(=[Cr])/C=C(\c1ccccc1)N1CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium?
The InChIKey is SBTYOLSDEIFHMO-JYWHLQINSA-N. The full InChI is InChI=1S/C15H19NO.5CO.Cr/c1-2-17-13-10-15(16-11-6-7-12-16)14-8-4-3-5-9-14;5*1-2;/h3-5,8-10H,2,6-7,11-12H2,1H3;;;;;;/b15-10+;;;;;;.
What are the key properties of carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium?
carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium has a molecular weight of 421.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium is sourced from PubChem (CID 135004183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).