[(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane

C20H41NSn — CID 11144130

IUPAC[(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane
SMILESC=CCCN1CCC[C@@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H14N.3C4H9.Sn/c1-2-3-6-9-7-4-5-8-9;3*1-3-4-2;/h2,7H,1,3-6,8H2;3*1,3-4H2,2H3;
InChIKeyQXXXAENJBKESSA-UHFFFAOYSA-N
MW414.27 g/mol
LogP6.42
Rot. Bonds13

About [(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane

[(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane (PubChem CID 11144130) has the molecular formula C20H41NSn and a molecular weight of 414.27 g/mol. Its IUPAC name is [(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane.

Molecular Properties

Compound Name[(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane
PubChem CID11144130
Molecular FormulaC20H41NSn
Molecular Weight414.27 g/mol
Exact Mass415.23
IUPAC Name[(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane
SMILESC=CCCN1CCC[C@@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H14N.3C4H9.Sn/c1-2-3-6-9-7-4-5-8-9;3*1-3-4-2;/h2,7H,1,3-6,8H2;3*1,3-4H2,2H3;
InChIKeyQXXXAENJBKESSA-UHFFFAOYSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.27
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane?
The IUPAC name of [(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane (CID 11144130) is [(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane.
What is the SMILES notation for [(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane?
The canonical SMILES for [(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane is C=CCCN1CCC[C@@H]1[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of [(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane?
The InChIKey is QXXXAENJBKESSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N.3C4H9.Sn/c1-2-3-6-9-7-4-5-8-9;3*1-3-4-2;/h2,7H,1,3-6,8H2;3*1,3-4H2,2H3;.
What are the key properties of [(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane?
[(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane has a molecular weight of 414.27 g/mol, XLogP of 6.42, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane is sourced from PubChem (CID 11144130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).