CID 163718369

C10H17NO3Si- — CID 163718369

IUPAC
SMILESCO[Si-](CCc1ccccn1)(OC)OC
InChIInChI=1S/C10H17NO3Si/c1-12-15(13-2,14-3)9-7-10-6-4-5-8-11-10/h4-6,8H,7,9H2,1-3H3/q-1
InChIKeyFYOWURYGIINJLY-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.50
Rot. Bonds6

About CID 163718369

CID 163718369 (PubChem CID 163718369) has the molecular formula C10H17NO3Si- and a molecular weight of 227.34 g/mol.

Molecular Properties

Compound NameCID 163718369
PubChem CID163718369
Molecular FormulaC10H17NO3Si-
Molecular Weight227.34 g/mol
Exact Mass227.10
IUPAC Name
SMILESCO[Si-](CCc1ccccn1)(OC)OC
InChIInChI=1S/C10H17NO3Si/c1-12-15(13-2,14-3)9-7-10-6-4-5-8-11-10/h4-6,8H,7,9H2,1-3H3/q-1
InChIKeyFYOWURYGIINJLY-UHFFFAOYSA-N
XLogP1.50
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163718369?
The IUPAC name of CID 163718369 (CID 163718369) is not available.
What is the SMILES notation for CID 163718369?
The canonical SMILES for CID 163718369 is CO[Si-](CCc1ccccn1)(OC)OC.
What is the InChIKey of CID 163718369?
The InChIKey is FYOWURYGIINJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3Si/c1-12-15(13-2,14-3)9-7-10-6-4-5-8-11-10/h4-6,8H,7,9H2,1-3H3/q-1.
What are the key properties of CID 163718369?
CID 163718369 has a molecular weight of 227.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163718369 is sourced from PubChem (CID 163718369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).