CID 145139279

C20H19NOSi- — CID 145139279

IUPAC—
SMILESC[Si-](C)(C)C#Cc1ccc2c(Oc3ccccc3)cccc2n1
InChIInChI=1S/C20H19NOSi/c1-23(2,3)15-14-16-12-13-18-19(21-16)10-7-11-20(18)22-17-8-5-4-6-9-17/h4-13H,1-3H3/q-1
InChIKeyBGINZXFCDVGRQC-UHFFFAOYSA-N
MW317.46 g/mol
LogP5.26
Rot. Bonds2

About CID 145139279

CID 145139279 (PubChem CID 145139279) has the molecular formula C20H19NOSi- and a molecular weight of 317.46 g/mol.

Molecular Properties

Compound NameCID 145139279
PubChem CID145139279
Molecular FormulaC20H19NOSi-
Molecular Weight317.46 g/mol
Exact Mass317.12
IUPAC Name—
SMILESC[Si-](C)(C)C#Cc1ccc2c(Oc3ccccc3)cccc2n1
InChIInChI=1S/C20H19NOSi/c1-23(2,3)15-14-16-12-13-18-19(21-16)10-7-11-20(18)22-17-8-5-4-6-9-17/h4-13H,1-3H3/q-1
InChIKeyBGINZXFCDVGRQC-UHFFFAOYSA-N
XLogP5.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 145139279?
The IUPAC name of CID 145139279 (CID 145139279) is not available.
What is the SMILES notation for CID 145139279?
The canonical SMILES for CID 145139279 is C[Si-](C)(C)C#Cc1ccc2c(Oc3ccccc3)cccc2n1.
What is the InChIKey of CID 145139279?
The InChIKey is BGINZXFCDVGRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOSi/c1-23(2,3)15-14-16-12-13-18-19(21-16)10-7-11-20(18)22-17-8-5-4-6-9-17/h4-13H,1-3H3/q-1.
What are the key properties of CID 145139279?
CID 145139279 has a molecular weight of 317.46 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145139279 is sourced from PubChem (CID 145139279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).