tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane

C21H41NSn — CID 14250112

IUPACtributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2)CC1
InChIInChI=1S/C9H14N.3C4H9.Sn/c1-2-6-9(5-1)10-7-3-4-8-10;3*1-3-4-2;/h1,5H,2-4,6-8H2;3*1,3-4H2,2H3;
InChIKeyNGDCGEVMJMLRPM-UHFFFAOYSA-N
MW426.28 g/mol
LogP6.98
Rot. Bonds11

About tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane

tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane (PubChem CID 14250112) has the molecular formula C21H41NSn and a molecular weight of 426.28 g/mol. Its IUPAC name is tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane.

Molecular Properties

Compound Nametributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane
PubChem CID14250112
Molecular FormulaC21H41NSn
Molecular Weight426.28 g/mol
Exact Mass427.23
IUPAC Nametributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2)CC1
InChIInChI=1S/C9H14N.3C4H9.Sn/c1-2-6-9(5-1)10-7-3-4-8-10;3*1-3-4-2;/h1,5H,2-4,6-8H2;3*1,3-4H2,2H3;
InChIKeyNGDCGEVMJMLRPM-UHFFFAOYSA-N
XLogP6.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.28
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolidine, 1-(1-cyclopenten-1-yl)-
CID 81570
1-Pyrrolidino-1-cyclohexene
CID 70768
N,N-Diethylcyclopent-1-en-1-amine
CID 14610479
1-(2-Methyl-1-pyrrolidinyl)cyclohexene
CID 4674520
2-Pyrroline, 2-n-butyl-1-methyl-
CID 18179222
(e)-4-Pyrrolidino-3-heptene
CID 11789592
5-Methyl-1-pyrrolidino-1-cyclopentene
CID 15662771
(2R,5R)-1-(cyclohexen-1-yl)-2,5-dimethylpyrrolidine
CID 13541757
Tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane
CID 14250104
tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane
CID 14250120
N,N-dibutylcyclopenten-1-amine
CID 15470679
(2R)-1-(cyclohexen-1-yl)-2-methylpyrrolidine
CID 92197461

Frequently Asked Questions

What is the IUPAC name of tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane?
The IUPAC name of tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane (CID 14250112) is tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane.
What is the SMILES notation for tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane?
The canonical SMILES for tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane is CCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2)CC1.
What is the InChIKey of tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane?
The InChIKey is NGDCGEVMJMLRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.3C4H9.Sn/c1-2-6-9(5-1)10-7-3-4-8-10;3*1-3-4-2;/h1,5H,2-4,6-8H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane?
tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane has a molecular weight of 426.28 g/mol, XLogP of 6.98, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-pyrrolidin-1-ylcyclopent-2-en-1-yl)stannane is sourced from PubChem (CID 14250112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).