[(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane

C22H44NSn+ — CID 15760027

IUPAC[(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane
SMILESC=CC[N+]1(CC=C)CCC[C@@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H17N.3C4H9.Sn/c1-3-7-11(8-4-2)9-5-6-10-11;3*1-3-4-2;/h3-4,9H,1-2,5-8,10H2;3*1,3-4H2,2H3;/q+1;;;;
InChIKeyLXHKDGNBXPPVRU-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.73
Rot. Bonds14

About [(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane

[(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane (PubChem CID 15760027) has the molecular formula C22H44NSn+ and a molecular weight of 441.31 g/mol. Its IUPAC name is [(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane.

Molecular Properties

Compound Name[(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane
PubChem CID15760027
Molecular FormulaC22H44NSn+
Molecular Weight441.31 g/mol
Exact Mass442.25
IUPAC Name[(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane
SMILESC=CC[N+]1(CC=C)CCC[C@@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H17N.3C4H9.Sn/c1-3-7-11(8-4-2)9-5-6-10-11;3*1-3-4-2;/h3-4,9H,1-2,5-8,10H2;3*1,3-4H2,2H3;/q+1;;;;
InChIKeyLXHKDGNBXPPVRU-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane?
The IUPAC name of [(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane (CID 15760027) is [(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane.
What is the SMILES notation for [(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane?
The canonical SMILES for [(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane is C=CC[N+]1(CC=C)CCC[C@@H]1[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of [(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane?
The InChIKey is LXHKDGNBXPPVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.3C4H9.Sn/c1-3-7-11(8-4-2)9-5-6-10-11;3*1-3-4-2;/h3-4,9H,1-2,5-8,10H2;3*1,3-4H2,2H3;/q+1;;;;.
What are the key properties of [(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane?
[(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane has a molecular weight of 441.31 g/mol, XLogP of 6.73, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,1-bis(prop-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane is sourced from PubChem (CID 15760027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).