CID 174778702

C10H8NO2Si — CID 174778702

IUPAC—
SMILESO=C(O)[Si].c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.CHO2Si/c1-2-6-9-8(4-1)5-3-7-10-9;2-1(3)4/h1-7H;(H,2,3)
InChIKeyPYMPDKMHOIHISU-UHFFFAOYSA-N
MW202.27 g/mol
LogP2.07
Rot. Bonds

About CID 174778702

CID 174778702 (PubChem CID 174778702) has the molecular formula C10H8NO2Si and a molecular weight of 202.27 g/mol.

Molecular Properties

Compound NameCID 174778702
PubChem CID174778702
Molecular FormulaC10H8NO2Si
Molecular Weight202.27 g/mol
Exact Mass202.03
IUPAC Name—
SMILESO=C(O)[Si].c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.CHO2Si/c1-2-6-9-8(4-1)5-3-7-10-9;2-1(3)4/h1-7H;(H,2,3)
InChIKeyPYMPDKMHOIHISU-UHFFFAOYSA-N
XLogP2.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 174778702?
The IUPAC name of CID 174778702 (CID 174778702) is not available.
What is the SMILES notation for CID 174778702?
The canonical SMILES for CID 174778702 is O=C(O)[Si].c1ccc2ncccc2c1.
What is the InChIKey of CID 174778702?
The InChIKey is PYMPDKMHOIHISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.CHO2Si/c1-2-6-9-8(4-1)5-3-7-10-9;2-1(3)4/h1-7H;(H,2,3).
What are the key properties of CID 174778702?
CID 174778702 has a molecular weight of 202.27 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174778702 is sourced from PubChem (CID 174778702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).