1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one

C11H24N2OSi2 — CID 15280063

IUPAC1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one
SMILESC[Si](C)(C)N1CC=CCN([Si](C)(C)C)C1=O
InChIInChI=1S/C11H24N2OSi2/c1-15(2,3)12-9-7-8-10-13(11(12)14)16(4,5)6/h7-8H,9-10H2,1-6H3
InChIKeySQABTMQOSHULMJ-UHFFFAOYSA-N
MW256.50 g/mol
LogP2.95
Rot. Bonds2

About 1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one

1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one (PubChem CID 15280063) has the molecular formula C11H24N2OSi2 and a molecular weight of 256.50 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one.

Molecular Properties

Compound Name1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one
PubChem CID15280063
Molecular FormulaC11H24N2OSi2
Molecular Weight256.50 g/mol
Exact Mass256.14
IUPAC Name1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one
SMILESC[Si](C)(C)N1CC=CCN([Si](C)(C)C)C1=O
InChIInChI=1S/C11H24N2OSi2/c1-15(2,3)12-9-7-8-10-13(11(12)14)16(4,5)6/h7-8H,9-10H2,1-6H3
InChIKeySQABTMQOSHULMJ-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one?
The IUPAC name of 1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one (CID 15280063) is 1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one.
What is the SMILES notation for 1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one?
The canonical SMILES for 1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one is C[Si](C)(C)N1CC=CCN([Si](C)(C)C)C1=O.
What is the InChIKey of 1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one?
The InChIKey is SQABTMQOSHULMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OSi2/c1-15(2,3)12-9-7-8-10-13(11(12)14)16(4,5)6/h7-8H,9-10H2,1-6H3.
What are the key properties of 1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one?
1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one has a molecular weight of 256.50 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trimethylsilyl)-4,7-dihydro-1,3-diazepin-2-one is sourced from PubChem (CID 15280063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).