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

C12H23NOSi — CID 67043396

IUPAC(1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
SMILESCCC(=O)/C=C1/CCCN1C[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/b11-9-
InChIKeyGAXKBANOZWHKHY-LUAWRHEFSA-N
MW225.41 g/mol
LogP2.82
Rot. Bonds4

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

(1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one (PubChem CID 67043396) has the molecular formula C12H23NOSi and a molecular weight of 225.41 g/mol. Its IUPAC name is (1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one.

Molecular Properties

Compound Name(1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
PubChem CID67043396
Molecular FormulaC12H23NOSi
Molecular Weight225.41 g/mol
Exact Mass225.15
IUPAC Name(1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
SMILESCCC(=O)/C=C1/CCCN1C[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/b11-9-
InChIKeyGAXKBANOZWHKHY-LUAWRHEFSA-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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Related Compounds

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(3E)-4-(1-pyrrolidinyl)-3-penten-2-one
CID 5380557
(1E)-1-(1-Methylpyrrolidin-2-ylidene)propan-2-one
CID 12758234
(3E)-4-(1-pyrrolidinyl)-3-hexen-2-one
CID 24977385
(E)-5-pyrrolidin-1-ylhex-4-en-3-one
CID 134894433
(1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one
CID 134895456
1-(1-Methylpyrrolidin-2-ylidene)propan-2-one
CID 85444263
N-Methyl-2-(propionylmethylene)pyrrolidine
CID 5371411
(1E)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
CID 58196005
1-[1-(Trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
CID 67043398
4-[1-(Trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
CID 68641057

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one?
The IUPAC name of (1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one (CID 67043396) is (1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one.
What is the SMILES notation for (1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one?
The canonical SMILES for (1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one is CCC(=O)/C=C1/CCCN1C[Si](C)(C)C.
What is the InChIKey of (1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one?
The InChIKey is GAXKBANOZWHKHY-LUAWRHEFSA-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/b11-9-.
What are the key properties of (1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one?
(1Z)-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 (1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one is sourced from PubChem (CID 67043396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).