bis(azepan-2-one);dimethylsilane

C14H30N2O2Si — CID 174817428

IUPACbis(azepan-2-one);dimethylsilane
SMILESC[SiH2]C.O=C1CCCCCN1.O=C1CCCCCN1
InChIInChI=1S/2C6H11NO.C2H8Si/c2*8-6-4-2-1-3-5-7-6;1-3-2/h2*1-5H2,(H,7,8);3H2,1-2H3
InChIKeyOFWJCSSPUSEAJM-UHFFFAOYSA-N
MW286.49 g/mol
LogP1.60
Rot. Bonds

About bis(azepan-2-one);dimethylsilane

bis(azepan-2-one);dimethylsilane (PubChem CID 174817428) has the molecular formula C14H30N2O2Si and a molecular weight of 286.49 g/mol. Its IUPAC name is bis(azepan-2-one);dimethylsilane.

Molecular Properties

Compound Namebis(azepan-2-one);dimethylsilane
PubChem CID174817428
Molecular FormulaC14H30N2O2Si
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC Namebis(azepan-2-one);dimethylsilane
SMILESC[SiH2]C.O=C1CCCCCN1.O=C1CCCCCN1
InChIInChI=1S/2C6H11NO.C2H8Si/c2*8-6-4-2-1-3-5-7-6;1-3-2/h2*1-5H2,(H,7,8);3H2,1-2H3
InChIKeyOFWJCSSPUSEAJM-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
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 bis(azepan-2-one);dimethylsilane?
The IUPAC name of bis(azepan-2-one);dimethylsilane (CID 174817428) is bis(azepan-2-one);dimethylsilane.
What is the SMILES notation for bis(azepan-2-one);dimethylsilane?
The canonical SMILES for bis(azepan-2-one);dimethylsilane is C[SiH2]C.O=C1CCCCCN1.O=C1CCCCCN1.
What is the InChIKey of bis(azepan-2-one);dimethylsilane?
The InChIKey is OFWJCSSPUSEAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO.C2H8Si/c2*8-6-4-2-1-3-5-7-6;1-3-2/h2*1-5H2,(H,7,8);3H2,1-2H3.
What are the key properties of bis(azepan-2-one);dimethylsilane?
bis(azepan-2-one);dimethylsilane has a molecular weight of 286.49 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(azepan-2-one);dimethylsilane is sourced from PubChem (CID 174817428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).