1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one

C12H23NOSi — CID 67043398

IUPAC1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
SMILESCCC(=O)C=C1CCCN1C[Si](C)(C)C
InChIInChI=1S/C12H23NOSi/c1-5-12(14)9-11-7-6-8-13(11)10-15(2,3)4/h9H,5-8,10H2,1-4H3
InChIKeyGAXKBANOZWHKHY-UHFFFAOYSA-N
MW225.41 g/mol
LogP2.82
Rot. Bonds4

About 1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one

1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one (PubChem CID 67043398) has the molecular formula C12H23NOSi and a molecular weight of 225.41 g/mol. Its IUPAC name is 1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one.

Molecular Properties

Compound Name1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
PubChem CID67043398
Molecular FormulaC12H23NOSi
Molecular Weight225.41 g/mol
Exact Mass225.15
IUPAC Name1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
SMILESCCC(=O)C=C1CCCN1C[Si](C)(C)C
InChIInChI=1S/C12H23NOSi/c1-5-12(14)9-11-7-6-8-13(11)10-15(2,3)4/h9H,5-8,10H2,1-4H3
InChIKeyGAXKBANOZWHKHY-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one?
The IUPAC name of 1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one (CID 67043398) is 1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one.
What is the SMILES notation for 1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one?
The canonical SMILES for 1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one is CCC(=O)C=C1CCCN1C[Si](C)(C)C.
What is the InChIKey of 1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one?
The InChIKey is GAXKBANOZWHKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOSi/c1-5-12(14)9-11-7-6-8-13(11)10-15(2,3)4/h9H,5-8,10H2,1-4H3.
What are the key properties of 1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one?
1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one has a molecular weight of 225.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one is sourced from PubChem (CID 67043398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).