1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one

C19H33N3O3Si — CID 140709512

IUPAC1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one
SMILESC[Si](N1CCCCCC1=O)(N1CCCCCC1=O)N1CCCCCC1=O
InChIInChI=1S/C19H33N3O3Si/c1-26(20-14-8-2-5-11-17(20)23,21-15-9-3-6-12-18(21)24)22-16-10-4-7-13-19(22)25/h2-16H2,1H3
InChIKeyYGSYRKAXKBHUEC-UHFFFAOYSA-N
MW379.58 g/mol
LogP2.76
Rot. Bonds3

About 1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one

1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one (PubChem CID 140709512) has the molecular formula C19H33N3O3Si and a molecular weight of 379.58 g/mol. Its IUPAC name is 1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one.

Molecular Properties

Compound Name1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one
PubChem CID140709512
Molecular FormulaC19H33N3O3Si
Molecular Weight379.58 g/mol
Exact Mass379.23
IUPAC Name1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one
SMILESC[Si](N1CCCCCC1=O)(N1CCCCCC1=O)N1CCCCCC1=O
InChIInChI=1S/C19H33N3O3Si/c1-26(20-14-8-2-5-11-17(20)23,21-15-9-3-6-12-18(21)24)22-16-10-4-7-13-19(22)25/h2-16H2,1H3
InChIKeyYGSYRKAXKBHUEC-UHFFFAOYSA-N
XLogP2.76
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.58
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one?
The IUPAC name of 1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one (CID 140709512) is 1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one.
What is the SMILES notation for 1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one?
The canonical SMILES for 1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one is C[Si](N1CCCCCC1=O)(N1CCCCCC1=O)N1CCCCCC1=O.
What is the InChIKey of 1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one?
The InChIKey is YGSYRKAXKBHUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3Si/c1-26(20-14-8-2-5-11-17(20)23,21-15-9-3-6-12-18(21)24)22-16-10-4-7-13-19(22)25/h2-16H2,1H3.
What are the key properties of 1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one?
1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one has a molecular weight of 379.58 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-bis(2-oxoazepan-1-yl)silyl]azepan-2-one is sourced from PubChem (CID 140709512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).