CID 173303458

C4H8NOSi — CID 173303458

IUPAC—
SMILESCCC[SiH]N=C=O
InChIInChI=1S/C4H8NOSi/c1-2-3-7-5-4-6/h7H,2-3H2,1H3
InChIKeyOOHQBKIVPOTMPW-UHFFFAOYSA-N
MW114.20 g/mol
LogP0.50
Rot. Bonds3

About CID 173303458

CID 173303458 (PubChem CID 173303458) has the molecular formula C4H8NOSi and a molecular weight of 114.20 g/mol.

Molecular Properties

Compound NameCID 173303458
PubChem CID173303458
Molecular FormulaC4H8NOSi
Molecular Weight114.20 g/mol
Exact Mass114.04
IUPAC Name—
SMILESCCC[SiH]N=C=O
InChIInChI=1S/C4H8NOSi/c1-2-3-7-5-4-6/h7H,2-3H2,1H3
InChIKeyOOHQBKIVPOTMPW-UHFFFAOYSA-N
XLogP0.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173303458?
The IUPAC name of CID 173303458 (CID 173303458) is not available.
What is the SMILES notation for CID 173303458?
The canonical SMILES for CID 173303458 is CCC[SiH]N=C=O.
What is the InChIKey of CID 173303458?
The InChIKey is OOHQBKIVPOTMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NOSi/c1-2-3-7-5-4-6/h7H,2-3H2,1H3.
What are the key properties of CID 173303458?
CID 173303458 has a molecular weight of 114.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173303458 is sourced from PubChem (CID 173303458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).