trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate

C14H27NO2Si — CID 10333312

IUPACtrimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate
SMILESC=CC(C)C(CN1CCCC1)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H27NO2Si/c1-6-12(2)13(11-15-9-7-8-10-15)14(16)17-18(3,4)5/h6,12-13H,1,7-11H2,2-5H3
InChIKeyDLXZTCUAEWKMSV-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.90
Rot. Bonds6

About trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate

trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate (PubChem CID 10333312) has the molecular formula C14H27NO2Si and a molecular weight of 269.46 g/mol. Its IUPAC name is trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate.

Molecular Properties

Compound Nametrimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate
PubChem CID10333312
Molecular FormulaC14H27NO2Si
Molecular Weight269.46 g/mol
Exact Mass269.18
IUPAC Nametrimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate
SMILESC=CC(C)C(CN1CCCC1)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H27NO2Si/c1-6-12(2)13(11-15-9-7-8-10-15)14(16)17-18(3,4)5/h6,12-13H,1,7-11H2,2-5H3
InChIKeyDLXZTCUAEWKMSV-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-methyl-2-(pyrrolidin-1-ylmethyl)butanoate
CID 117242456
methyl 3-methyl-2-(piperidin-1-ylmethyl)butanoate
CID 117242458
4-methyl-5-pyrrolidin-1-ylpent-1-en-3-one
CID 90939236
1-(2-ethenylbut-3-enyl)piperidine;methanamine
CID 144798993
methyl 2-amino-3-piperidin-1-ylpropanoate
CID 10988984
N-(1-pyrrolidin-1-ylpropan-2-yl)prop-2-enamide
CID 61473845
pyrrolidin-1-ylmethyl acetate
CID 23560806
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine
CID 88639332
N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
CID 107906758
(3R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-pyrrolidin-1-ylpent-4-en-1-one
CID 10425603
butyl 2-methyl-3-pyrrolidin-1-ylpropanoate
CID 139756168

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate?
The IUPAC name of trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate (CID 10333312) is trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate.
What is the SMILES notation for trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate?
The canonical SMILES for trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate is C=CC(C)C(CN1CCCC1)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate?
The InChIKey is DLXZTCUAEWKMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2Si/c1-6-12(2)13(11-15-9-7-8-10-15)14(16)17-18(3,4)5/h6,12-13H,1,7-11H2,2-5H3.
What are the key properties of trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate?
trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate has a molecular weight of 269.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate is sourced from PubChem (CID 10333312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).