CID 134968780

C17H17NSi — CID 134968780

IUPAC—
SMILESC[C@H]([Si]c1ccccc1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C17H17NSi/c1-13(19-16-6-4-3-5-7-16)14-8-9-17-15(12-14)10-11-18(17)2/h3-13H,1-2H3/t13-/m0/s1
InChIKeyRUBJJHGMOOIOEE-ZDUSSCGKSA-N
MW263.42 g/mol
LogP3.27
Rot. Bonds3

About CID 134968780

CID 134968780 (PubChem CID 134968780) has the molecular formula C17H17NSi and a molecular weight of 263.42 g/mol.

Molecular Properties

Compound NameCID 134968780
PubChem CID134968780
Molecular FormulaC17H17NSi
Molecular Weight263.42 g/mol
Exact Mass263.11
IUPAC Name—
SMILESC[C@H]([Si]c1ccccc1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C17H17NSi/c1-13(19-16-6-4-3-5-7-16)14-8-9-17-15(12-14)10-11-18(17)2/h3-13H,1-2H3/t13-/m0/s1
InChIKeyRUBJJHGMOOIOEE-ZDUSSCGKSA-N
XLogP3.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 134968780?
The IUPAC name of CID 134968780 (CID 134968780) is not available.
What is the SMILES notation for CID 134968780?
The canonical SMILES for CID 134968780 is C[C@H]([Si]c1ccccc1)c1ccc2c(ccn2C)c1.
What is the InChIKey of CID 134968780?
The InChIKey is RUBJJHGMOOIOEE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NSi/c1-13(19-16-6-4-3-5-7-16)14-8-9-17-15(12-14)10-11-18(17)2/h3-13H,1-2H3/t13-/m0/s1.
What are the key properties of CID 134968780?
CID 134968780 has a molecular weight of 263.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134968780 is sourced from PubChem (CID 134968780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).