[(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide

C16H13CrNO6 — CID 11783526

IUPAC[(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
SMILESCCOC(=[Cr])/C=C(\N)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C11H13NO.5CO.Cr/c1-2-13-9-8-11(12)10-6-4-3-5-7-10;5*1-2;/h3-8H,2,12H2,1H3;;;;;;/b11-8-;;;;;;
InChIKeyKZBDVLOHEJOZRG-KNPMTIQQSA-N
MW367.28 g/mol
LogP1.51
Rot. Bonds4

About [(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide

[(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide (PubChem CID 11783526) has the molecular formula C16H13CrNO6 and a molecular weight of 367.28 g/mol. Its IUPAC name is [(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide.

Molecular Properties

Compound Name[(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
PubChem CID11783526
Molecular FormulaC16H13CrNO6
Molecular Weight367.28 g/mol
Exact Mass367.01
IUPAC Name[(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
SMILESCCOC(=[Cr])/C=C(\N)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C11H13NO.5CO.Cr/c1-2-13-9-8-11(12)10-6-4-3-5-7-10;5*1-2;/h3-8H,2,12H2,1H3;;;;;;/b11-8-;;;;;;
InChIKeyKZBDVLOHEJOZRG-KNPMTIQQSA-N
XLogP1.51
TPSA134.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
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

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ethyl (E)-3-amino-3-(2-fluorophenyl)prop-2-enoate
CID 67835819
Ethyl 3-amino-3-(2-fluorophenyl)-2-propenoate
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ethyl (Z)-3-amino-3-(4-fluorophenyl)prop-2-enoate
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CID 134397368

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide?
The IUPAC name of [(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide (CID 11783526) is [(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide.
What is the SMILES notation for [(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide?
The canonical SMILES for [(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide is CCOC(=[Cr])/C=C(\N)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of [(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide?
The InChIKey is KZBDVLOHEJOZRG-KNPMTIQQSA-N. The full InChI is InChI=1S/C11H13NO.5CO.Cr/c1-2-13-9-8-11(12)10-6-4-3-5-7-10;5*1-2;/h3-8H,2,12H2,1H3;;;;;;/b11-8-;;;;;;.
What are the key properties of [(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide?
[(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide has a molecular weight of 367.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide is sourced from PubChem (CID 11783526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).