1,1,3-trimethyl-2H-3,1-benzazasilin-4-one

C11H15NOSi — CID 22754064

IUPAC1,1,3-trimethyl-2H-3,1-benzazasilin-4-one
SMILESCN1C[Si](C)(C)c2ccccc2C1=O
InChIInChI=1S/C11H15NOSi/c1-12-8-14(2,3)10-7-5-4-6-9(10)11(12)13/h4-7H,8H2,1-3H3
InChIKeyIQKQINYGIFJKDH-UHFFFAOYSA-N
MW205.33 g/mol
LogP1.23
Rot. Bonds

About 1,1,3-trimethyl-2H-3,1-benzazasilin-4-one

1,1,3-trimethyl-2H-3,1-benzazasilin-4-one (PubChem CID 22754064) has the molecular formula C11H15NOSi and a molecular weight of 205.33 g/mol. Its IUPAC name is 1,1,3-trimethyl-2H-3,1-benzazasilin-4-one.

Molecular Properties

Compound Name1,1,3-trimethyl-2H-3,1-benzazasilin-4-one
PubChem CID22754064
Molecular FormulaC11H15NOSi
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name1,1,3-trimethyl-2H-3,1-benzazasilin-4-one
SMILESCN1C[Si](C)(C)c2ccccc2C1=O
InChIInChI=1S/C11H15NOSi/c1-12-8-14(2,3)10-7-5-4-6-9(10)11(12)13/h4-7H,8H2,1-3H3
InChIKeyIQKQINYGIFJKDH-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 51.23
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 1,1,3-trimethyl-2H-3,1-benzazasilin-4-one?
The IUPAC name of 1,1,3-trimethyl-2H-3,1-benzazasilin-4-one (CID 22754064) is 1,1,3-trimethyl-2H-3,1-benzazasilin-4-one.
What is the SMILES notation for 1,1,3-trimethyl-2H-3,1-benzazasilin-4-one?
The canonical SMILES for 1,1,3-trimethyl-2H-3,1-benzazasilin-4-one is CN1C[Si](C)(C)c2ccccc2C1=O.
What is the InChIKey of 1,1,3-trimethyl-2H-3,1-benzazasilin-4-one?
The InChIKey is IQKQINYGIFJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOSi/c1-12-8-14(2,3)10-7-5-4-6-9(10)11(12)13/h4-7H,8H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-2H-3,1-benzazasilin-4-one?
1,1,3-trimethyl-2H-3,1-benzazasilin-4-one has a molecular weight of 205.33 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-2H-3,1-benzazasilin-4-one is sourced from PubChem (CID 22754064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).