carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium

C29H31CrNO7 — CID 11114401

IUPACcarbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium
SMILESCCOC(=[Cr])/C=C(\N(Cc1ccccc1)Cc1ccccc1)C(C)(C)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C24H31NO2.5CO.Cr/c1-5-26-18-17-23(24(3,4)27-6-2)25(19-21-13-9-7-10-14-21)20-22-15-11-8-12-16-22;5*1-2;/h7-17H,5-6,19-20H2,1-4H3;;;;;;/b23-17-;;;;;;
InChIKeyNREICALENBDQGS-APGWCNEYSA-N
MW557.56 g/mol
LogP4.91
Rot. Bonds11

About carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium

carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium (PubChem CID 11114401) has the molecular formula C29H31CrNO7 and a molecular weight of 557.56 g/mol. Its IUPAC name is carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium
PubChem CID11114401
Molecular FormulaC29H31CrNO7
Molecular Weight557.56 g/mol
Exact Mass557.15
IUPAC Namecarbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium
SMILESCCOC(=[Cr])/C=C(\N(Cc1ccccc1)Cc1ccccc1)C(C)(C)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C24H31NO2.5CO.Cr/c1-5-26-18-17-23(24(3,4)27-6-2)25(19-21-13-9-7-10-14-21)20-22-15-11-8-12-16-22;5*1-2;/h7-17H,5-6,19-20H2,1-4H3;;;;;;/b23-17-;;;;;;
InChIKeyNREICALENBDQGS-APGWCNEYSA-N
XLogP4.91
TPSA121.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.56
LogP ≤ 54.91
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'}

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Related Compounds

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N-(2-Ethoxyethyl)dibenzylamine
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4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine
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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium?
The IUPAC name of carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium (CID 11114401) is carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium.
What is the SMILES notation for carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium?
The canonical SMILES for carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium is CCOC(=[Cr])/C=C(\N(Cc1ccccc1)Cc1ccccc1)C(C)(C)OCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium?
The InChIKey is NREICALENBDQGS-APGWCNEYSA-N. The full InChI is InChI=1S/C24H31NO2.5CO.Cr/c1-5-26-18-17-23(24(3,4)27-6-2)25(19-21-13-9-7-10-14-21)20-22-15-11-8-12-16-22;5*1-2;/h7-17H,5-6,19-20H2,1-4H3;;;;;;/b23-17-;;;;;;.
What are the key properties of carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium?
carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium has a molecular weight of 557.56 g/mol, XLogP of 4.91, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium is sourced from PubChem (CID 11114401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).