(2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate

C9H15NO4Si — CID 123835596

IUPAC(2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate
SMILESNC(=O)C=CC(=O)OC1([SiH3])CCCCO1
InChIInChI=1S/C9H15NO4Si/c10-7(11)3-4-8(12)14-9(15)5-1-2-6-13-9/h3-4H,1-2,5-6H2,15H3,(H2,10,11)
InChIKeyOKOMYCFFNQRVBW-UHFFFAOYSA-N
MW229.31 g/mol
LogP-1.21
Rot. Bonds3

About (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate

(2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate (PubChem CID 123835596) has the molecular formula C9H15NO4Si and a molecular weight of 229.31 g/mol. Its IUPAC name is (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate.

Molecular Properties

Compound Name(2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate
PubChem CID123835596
Molecular FormulaC9H15NO4Si
Molecular Weight229.31 g/mol
Exact Mass229.08
IUPAC Name(2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate
SMILESNC(=O)C=CC(=O)OC1([SiH3])CCCCO1
InChIInChI=1S/C9H15NO4Si/c10-7(11)3-4-8(12)14-9(15)5-1-2-6-13-9/h3-4H,1-2,5-6H2,15H3,(H2,10,11)
InChIKeyOKOMYCFFNQRVBW-UHFFFAOYSA-N
XLogP-1.21
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate
CID 123936417
(2-silyloxan-2-yl) dodecanoate
CID 174613847
(2-silyloxan-2-yl)oxyboronic acid
CID 123818208
dimethyl-(2-silyloxan-2-yl)oxysilane
CID 174849883
dimethyl-(2-silyloxan-2-yl)oxysilane;hydron
CID 174854703
(2-hydroxyoxan-2-yl) 3-methylbut-2-enoate
CID 150566359
methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate
CID 174530611
(2-bromooxan-2-yl)silane
CID 174600222
(2-chlorooxan-2-yl)silane
CID 123341870
ethane;2-methyloxane-2-carboxamide
CID 171543445
cyclohexyl (E)-4-amino-4-oxobut-2-enoate
CID 132966691
[2-(dihydroxymethyl)oxan-2-yl] prop-2-enoate
CID 141413960

Frequently Asked Questions

What is the IUPAC name of (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate?
The IUPAC name of (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate (CID 123835596) is (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate.
What is the SMILES notation for (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate?
The canonical SMILES for (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate is NC(=O)C=CC(=O)OC1([SiH3])CCCCO1.
What is the InChIKey of (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate?
The InChIKey is OKOMYCFFNQRVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4Si/c10-7(11)3-4-8(12)14-9(15)5-1-2-6-13-9/h3-4H,1-2,5-6H2,15H3,(H2,10,11).
What are the key properties of (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate?
(2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate has a molecular weight of 229.31 g/mol, XLogP of -1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate is sourced from PubChem (CID 123835596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).