CID 153401694

C4H6NO4Si — CID 153401694

IUPAC—
SMILESC=C(C)C(=O)[Si](O)[N+](=O)[O-]
InChIInChI=1S/C4H6NO4Si/c1-3(2)4(6)10(9)5(7)8/h9H,1H2,2H3
InChIKeyFNVJVVCZPGIVML-UHFFFAOYSA-N
MW160.18 g/mol
LogP-0.57
Rot. Bonds3

About CID 153401694

CID 153401694 (PubChem CID 153401694) has the molecular formula C4H6NO4Si and a molecular weight of 160.18 g/mol.

Molecular Properties

Compound NameCID 153401694
PubChem CID153401694
Molecular FormulaC4H6NO4Si
Molecular Weight160.18 g/mol
Exact Mass160.01
IUPAC Name—
SMILESC=C(C)C(=O)[Si](O)[N+](=O)[O-]
InChIInChI=1S/C4H6NO4Si/c1-3(2)4(6)10(9)5(7)8/h9H,1H2,2H3
InChIKeyFNVJVVCZPGIVML-UHFFFAOYSA-N
XLogP-0.57
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-0.57
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 153401694?
The IUPAC name of CID 153401694 (CID 153401694) is not available.
What is the SMILES notation for CID 153401694?
The canonical SMILES for CID 153401694 is C=C(C)C(=O)[Si](O)[N+](=O)[O-].
What is the InChIKey of CID 153401694?
The InChIKey is FNVJVVCZPGIVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NO4Si/c1-3(2)4(6)10(9)5(7)8/h9H,1H2,2H3.
What are the key properties of CID 153401694?
CID 153401694 has a molecular weight of 160.18 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153401694 is sourced from PubChem (CID 153401694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).