1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone

C8H17NOSi — CID 123280163

IUPAC1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone
SMILESCC(=O)N1CC[Si](C)(C)CC1
InChIInChI=1S/C8H17NOSi/c1-8(10)9-4-6-11(2,3)7-5-9/h4-7H2,1-3H3
InChIKeyHODIHIKBWODKIU-UHFFFAOYSA-N
MW171.32 g/mol
LogP1.56
Rot. Bonds

About 1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone

1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone (PubChem CID 123280163) has the molecular formula C8H17NOSi and a molecular weight of 171.32 g/mol. Its IUPAC name is 1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone
PubChem CID123280163
Molecular FormulaC8H17NOSi
Molecular Weight171.32 g/mol
Exact Mass171.11
IUPAC Name1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone
SMILESCC(=O)N1CC[Si](C)(C)CC1
InChIInChI=1S/C8H17NOSi/c1-8(10)9-4-6-11(2,3)7-5-9/h4-7H2,1-3H3
InChIKeyHODIHIKBWODKIU-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl-(4,4-dimethyl-1,4-azasilinan-1-yl)methanone
CID 90238953
1-(azetidin-1-yl)ethanone
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ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
propane;1-pyrrolidin-1-ylethanone
CID 143432619
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121184138
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone?
The IUPAC name of 1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone (CID 123280163) is 1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone.
What is the SMILES notation for 1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone?
The canonical SMILES for 1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone is CC(=O)N1CC[Si](C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone?
The InChIKey is HODIHIKBWODKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOSi/c1-8(10)9-4-6-11(2,3)7-5-9/h4-7H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone?
1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone has a molecular weight of 171.32 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-1,4-azasilinan-1-yl)ethanone is sourced from PubChem (CID 123280163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).