2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one

C19H33NO3Si — CID 11057271

IUPAC2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one
SMILESCCCC(=O)C1=C(N2CCOCC2)CC([Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C19H33NO3Si/c1-7-8-15(21)17-14(20-9-11-23-12-10-20)13-16(18(17)22)24(5,6)19(2,3)4/h16H,7-13H2,1-6H3
InChIKeyJSGAENXYEFTNEM-UHFFFAOYSA-N
MW351.56 g/mol
LogP3.79
Rot. Bonds5

About 2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one

2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one (PubChem CID 11057271) has the molecular formula C19H33NO3Si and a molecular weight of 351.56 g/mol. Its IUPAC name is 2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one
PubChem CID11057271
Molecular FormulaC19H33NO3Si
Molecular Weight351.56 g/mol
Exact Mass351.22
IUPAC Name2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one
SMILESCCCC(=O)C1=C(N2CCOCC2)CC([Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C19H33NO3Si/c1-7-8-15(21)17-14(20-9-11-23-12-10-20)13-16(18(17)22)24(5,6)19(2,3)4/h16H,7-13H2,1-6H3
InChIKeyJSGAENXYEFTNEM-UHFFFAOYSA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.56
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[4-[Tert-butyl(dimethyl)silyl]oxybutanoyl]-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one
CID 11729262
2-Butanoyl-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one
CID 24976737
3-Morpholin-4-yl-2-pentylcyclopent-2-en-1-one
CID 7098886
1-(2-Morpholin-4-ylcyclopenten-1-yl)ethanone
CID 13611354
2-Ethyl-3-morpholin-4-ylcyclopent-2-en-1-one
CID 15105495

Frequently Asked Questions

What is the IUPAC name of 2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one?
The IUPAC name of 2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one (CID 11057271) is 2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one.
What is the SMILES notation for 2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one?
The canonical SMILES for 2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one is CCCC(=O)C1=C(N2CCOCC2)CC([Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one?
The InChIKey is JSGAENXYEFTNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3Si/c1-7-8-15(21)17-14(20-9-11-23-12-10-20)13-16(18(17)22)24(5,6)19(2,3)4/h16H,7-13H2,1-6H3.
What are the key properties of 2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one?
2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one has a molecular weight of 351.56 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one is sourced from PubChem (CID 11057271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).