tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane

C23H45NOSn — CID 14250116

IUPACtributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2COC)CC1
InChIInChI=1S/C11H18NO.3C4H9.Sn/c1-13-9-11-7-4-8-12(11)10-5-2-3-6-10;3*1-3-4-2;/h2,5,11H,3-4,6-9H2,1H3;3*1,3-4H2,2H3;
InChIKeyHXLLJANNPBVQFH-UHFFFAOYSA-N
MW470.33 g/mol
LogP6.99
Rot. Bonds13

About tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane

tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane (PubChem CID 14250116) has the molecular formula C23H45NOSn and a molecular weight of 470.33 g/mol. Its IUPAC name is tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane.

Molecular Properties

Compound Nametributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane
PubChem CID14250116
Molecular FormulaC23H45NOSn
Molecular Weight470.33 g/mol
Exact Mass471.25
IUPAC Nametributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2COC)CC1
InChIInChI=1S/C11H18NO.3C4H9.Sn/c1-13-9-11-7-4-8-12(11)10-5-2-3-6-10;3*1-3-4-2;/h2,5,11H,3-4,6-9H2,1H3;3*1,3-4H2,2H3;
InChIKeyHXLLJANNPBVQFH-UHFFFAOYSA-N
XLogP6.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.33
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 11019768
(2R)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810029
(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
CID 166984253
tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 10907053
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
CID 14250108
tributyl-[(E)-4-[2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 14250123
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
CID 15372847
(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine
CID 15727189
Hipzjvzlcdaihx-qpjjxvbhsa-
CID 13464679
1-(Cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810028
(2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine
CID 89289161
1-[(Z)-nonadec-3-en-4-yl]-2-(propan-2-yloxymethyl)pyrrolidine
CID 172373095

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane?
The IUPAC name of tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane (CID 14250116) is tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane.
What is the SMILES notation for tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane?
The canonical SMILES for tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane is CCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2COC)CC1.
What is the InChIKey of tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane?
The InChIKey is HXLLJANNPBVQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO.3C4H9.Sn/c1-13-9-11-7-4-8-12(11)10-5-2-3-6-10;3*1-3-4-2;/h2,5,11H,3-4,6-9H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane?
tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane has a molecular weight of 470.33 g/mol, XLogP of 6.99, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane is sourced from PubChem (CID 14250116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).