[(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane

C15H31NSi — CID 67430324

IUPAC[(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane
SMILESC/C=C/C[Si](CCC)(CCC)CN1CCCC1
InChIInChI=1S/C15H31NSi/c1-4-7-14-17(12-5-2,13-6-3)15-16-10-8-9-11-16/h4,7H,5-6,8-15H2,1-3H3/b7-4+
InChIKeyMKFYKRWGIPWFCW-QPJJXVBHSA-N
MW253.51 g/mol
LogP4.47
Rot. Bonds8

About [(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane

[(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane (PubChem CID 67430324) has the molecular formula C15H31NSi and a molecular weight of 253.51 g/mol. Its IUPAC name is [(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane.

Molecular Properties

Compound Name[(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane
PubChem CID67430324
Molecular FormulaC15H31NSi
Molecular Weight253.51 g/mol
Exact Mass253.22
IUPAC Name[(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane
SMILESC/C=C/C[Si](CCC)(CCC)CN1CCCC1
InChIInChI=1S/C15H31NSi/c1-4-7-14-17(12-5-2,13-6-3)15-16-10-8-9-11-16/h4,7H,5-6,8-15H2,1-3H3/b7-4+
InChIKeyMKFYKRWGIPWFCW-QPJJXVBHSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane?
The IUPAC name of [(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane (CID 67430324) is [(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane.
What is the SMILES notation for [(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane?
The canonical SMILES for [(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane is C/C=C/C[Si](CCC)(CCC)CN1CCCC1.
What is the InChIKey of [(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane?
The InChIKey is MKFYKRWGIPWFCW-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H31NSi/c1-4-7-14-17(12-5-2,13-6-3)15-16-10-8-9-11-16/h4,7H,5-6,8-15H2,1-3H3/b7-4+.
What are the key properties of [(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane?
[(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane has a molecular weight of 253.51 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]-dipropyl-(pyrrolidin-1-ylmethyl)silane is sourced from PubChem (CID 67430324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).