ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate

C12H23NO2Si — CID 135041495

IUPACethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate
SMILESC=C(CN1CC1C(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C12H23NO2Si/c1-6-15-12(14)11-8-13(11)7-10(2)9-16(3,4)5/h11H,2,6-9H2,1,3-5H3
InChIKeyPOQAOSUFPVTCAT-UHFFFAOYSA-N
MW241.41 g/mol
LogP2.13
Rot. Bonds6

About ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate

ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate (PubChem CID 135041495) has the molecular formula C12H23NO2Si and a molecular weight of 241.41 g/mol. Its IUPAC name is ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate
PubChem CID135041495
Molecular FormulaC12H23NO2Si
Molecular Weight241.41 g/mol
Exact Mass241.15
IUPAC Nameethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate
SMILESC=C(CN1CC1C(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C12H23NO2Si/c1-6-15-12(14)11-8-13(11)7-10(2)9-16(3,4)5/h11H,2,6-9H2,1,3-5H3
InChIKeyPOQAOSUFPVTCAT-UHFFFAOYSA-N
XLogP2.13
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 52.13
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
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diethyl (2R,5S)-1-methylpyrrolidine-2,5-dicarboxylate
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2-ethoxyprop-2-enyl(trimethyl)silane
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diethyl (4S,5S)-1,3-dioxolane-4,5-dicarboxylate
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ethyl 1,4-diazabicyclo[2.2.2]octane-2-carboxylate;dihydrochloride
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ethyl 4-amino-1-methylpyrrolidine-2-carboxylate
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ethyl 1-cyclopentylaziridine-2-carboxylate
CID 117009956

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate (CID 135041495) is ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate is C=C(CN1CC1C(=O)OCC)C[Si](C)(C)C.
What is the InChIKey of ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate?
The InChIKey is POQAOSUFPVTCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2Si/c1-6-15-12(14)11-8-13(11)7-10(2)9-16(3,4)5/h11H,2,6-9H2,1,3-5H3.
What are the key properties of ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate?
ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate has a molecular weight of 241.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(trimethylsilylmethyl)prop-2-enyl]aziridine-2-carboxylate is sourced from PubChem (CID 135041495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).