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

C17H27NO2W — CID 11376892

IUPAC[(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
InChIInChI=1S/C17H27NO2.W/c1-3-20-13-11-17(15-8-5-4-6-9-15)18-12-7-10-16(18)14-19-2;/h8,11,16H,3-7,9-10,12,14H2,1-2H3;/b17-11+;/t16-;/m0./s1
InChIKeyWZPQDCYFTSTDAL-PFGUXRHYSA-N
MW461.25 g/mol
LogP3.19
Rot. Bonds7

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

[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten (PubChem CID 11376892) has the molecular formula C17H27NO2W and a molecular weight of 461.25 g/mol. Its IUPAC name is [(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten.

Molecular Properties

Compound Name[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten
PubChem CID11376892
Molecular FormulaC17H27NO2W
Molecular Weight461.25 g/mol
Exact Mass461.16
IUPAC Name[(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
InChIInChI=1S/C17H27NO2.W/c1-3-20-13-11-17(15-8-5-4-6-9-15)18-12-7-10-16(18)14-19-2;/h8,11,16H,3-7,9-10,12,14H2,1-2H3;/b17-11+;/t16-;/m0./s1
InChIKeyWZPQDCYFTSTDAL-PFGUXRHYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
carbon monoxide;[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten
CID 11376891
(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 [(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten?
The IUPAC name of [(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten (CID 11376892) is [(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten.
What is the SMILES notation for [(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten?
The canonical SMILES for [(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.
What is the InChIKey of [(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten?
The InChIKey is WZPQDCYFTSTDAL-PFGUXRHYSA-N. The full InChI is InChI=1S/C17H27NO2.W/c1-3-20-13-11-17(15-8-5-4-6-9-15)18-12-7-10-16(18)14-19-2;/h8,11,16H,3-7,9-10,12,14H2,1-2H3;/b17-11+;/t16-;/m0./s1.
What are the key properties of [(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten?
[(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten has a molecular weight of 461.25 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(cyclohexen-1-yl)-1-ethoxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-enylidene]tungsten is sourced from PubChem (CID 11376892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).