CID 161294339

C6H12NO2Si — CID 161294339

IUPAC—
SMILESC=CC(N)=O.CCC[Si]=O
InChIInChI=1S/C3H5NO.C3H7OSi/c1-2-3(4)5;1-2-3-5-4/h2H,1H2,(H2,4,5);2-3H2,1H3
InChIKeyVGTUZQGWDABDLC-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.52
Rot. Bonds3

About CID 161294339

CID 161294339 (PubChem CID 161294339) has the molecular formula C6H12NO2Si and a molecular weight of 158.25 g/mol.

Molecular Properties

Compound NameCID 161294339
PubChem CID161294339
Molecular FormulaC6H12NO2Si
Molecular Weight158.25 g/mol
Exact Mass158.06
IUPAC Name—
SMILESC=CC(N)=O.CCC[Si]=O
InChIInChI=1S/C3H5NO.C3H7OSi/c1-2-3(4)5;1-2-3-5-4/h2H,1H2,(H2,4,5);2-3H2,1H3
InChIKeyVGTUZQGWDABDLC-UHFFFAOYSA-N
XLogP0.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
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 CID 161294339?
The IUPAC name of CID 161294339 (CID 161294339) is not available.
What is the SMILES notation for CID 161294339?
The canonical SMILES for CID 161294339 is C=CC(N)=O.CCC[Si]=O.
What is the InChIKey of CID 161294339?
The InChIKey is VGTUZQGWDABDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C3H7OSi/c1-2-3(4)5;1-2-3-5-4/h2H,1H2,(H2,4,5);2-3H2,1H3.
What are the key properties of CID 161294339?
CID 161294339 has a molecular weight of 158.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161294339 is sourced from PubChem (CID 161294339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).