carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten

C22H27NO7W — CID 11376891

IUPACcarbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten
SMILESCCOC(=[W])/C=C(\C1=CCCCC1)N1CCC[C@H]1COC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C17H27NO2.5CO.W/c1-3-20-13-11-17(15-8-5-4-6-9-15)18-12-7-10-16(18)14-19-2;5*1-2;/h8,11,16H,3-7,9-10,12,14H2,1-2H3;;;;;;/b17-11+;;;;;;/t16-;;;;;;/m0....../s1
InChIKeyINHQPRCBMPGONP-CRADCMLXSA-N
MW601.30 g/mol
LogP3.01
Rot. Bonds7

About carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten

carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten (PubChem CID 11376891) has the molecular formula C22H27NO7W and a molecular weight of 601.30 g/mol. Its IUPAC name is carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten.

Molecular Properties

Compound Namecarbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten
PubChem CID11376891
Molecular FormulaC22H27NO7W
Molecular Weight601.30 g/mol
Exact Mass601.13
IUPAC Namecarbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten
SMILESCCOC(=[W])/C=C(\C1=CCCCC1)N1CCC[C@H]1COC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C17H27NO2.5CO.W/c1-3-20-13-11-17(15-8-5-4-6-9-15)18-12-7-10-16(18)14-19-2;5*1-2;/h8,11,16H,3-7,9-10,12,14H2,1-2H3;;;;;;/b17-11+;;;;;;/t16-;;;;;;/m0....../s1
InChIKeyINHQPRCBMPGONP-CRADCMLXSA-N
XLogP3.01
TPSA121.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.30
LogP ≤ 53.01
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

(2S)-2-(methoxymethyl)-1-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]pyrrolidine
CID 10911229
(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine
CID 135085876
[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten
CID 11376892
(2S)-2-(methoxymethyl)-1-[(3Z)-5-methoxy-3-methylpenta-1,3-dien-2-yl]pyrrolidine
CID 101709446
1-butyl-2-[[(2Z,4Z)-4-ethylhexa-2,4-dienoxy]methyl]pyrrolidine
CID 143435434

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten?
The IUPAC name of carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten (CID 11376891) is carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten.
What is the SMILES notation for carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten?
The canonical SMILES for carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten is CCOC(=[W])/C=C(\C1=CCCCC1)N1CCC[C@H]1COC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten?
The InChIKey is INHQPRCBMPGONP-CRADCMLXSA-N. The full InChI is InChI=1S/C17H27NO2.5CO.W/c1-3-20-13-11-17(15-8-5-4-6-9-15)18-12-7-10-16(18)14-19-2;5*1-2;/h8,11,16H,3-7,9-10,12,14H2,1-2H3;;;;;;/b17-11+;;;;;;/t16-;;;;;;/m0....../s1.
What are the key properties of carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten?
carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten has a molecular weight of 601.30 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten is sourced from PubChem (CID 11376891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).