CID 174104322

C15H13N3O2Si — CID 174104322

IUPAC—
SMILESC[C@]1(c2cnc[nH]2)[Si]C1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H13N3O2Si/c1-15(11-6-16-8-17-11)12(21-15)7-18-13(19)9-4-2-3-5-10(9)14(18)20/h2-6,8,12H,7H2,1H3,(H,16,17)/t12?,15-/m1/s1
InChIKeyNSPXLQBTJPRRIL-WPZCJLIBSA-N
MW295.37 g/mol
LogP1.43
Rot. Bonds3

About CID 174104322

CID 174104322 (PubChem CID 174104322) has the molecular formula C15H13N3O2Si and a molecular weight of 295.37 g/mol.

Molecular Properties

Compound NameCID 174104322
PubChem CID174104322
Molecular FormulaC15H13N3O2Si
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name—
SMILESC[C@]1(c2cnc[nH]2)[Si]C1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H13N3O2Si/c1-15(11-6-16-8-17-11)12(21-15)7-18-13(19)9-4-2-3-5-10(9)14(18)20/h2-6,8,12H,7H2,1H3,(H,16,17)/t12?,15-/m1/s1
InChIKeyNSPXLQBTJPRRIL-WPZCJLIBSA-N
XLogP1.43
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174104322?
The IUPAC name of CID 174104322 (CID 174104322) is not available.
What is the SMILES notation for CID 174104322?
The canonical SMILES for CID 174104322 is C[C@]1(c2cnc[nH]2)[Si]C1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of CID 174104322?
The InChIKey is NSPXLQBTJPRRIL-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H13N3O2Si/c1-15(11-6-16-8-17-11)12(21-15)7-18-13(19)9-4-2-3-5-10(9)14(18)20/h2-6,8,12H,7H2,1H3,(H,16,17)/t12?,15-/m1/s1.
What are the key properties of CID 174104322?
CID 174104322 has a molecular weight of 295.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174104322 is sourced from PubChem (CID 174104322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).