3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile

C10H17NOSi — CID 10774243

IUPAC3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile
SMILESC[Si]1(C)CCC(=O)C(CCC#N)C1
InChIInChI=1S/C10H17NOSi/c1-13(2)7-5-10(12)9(8-13)4-3-6-11/h9H,3-5,7-8H2,1-2H3
InChIKeyVWRXAICHWNSZQM-UHFFFAOYSA-N
MW195.34 g/mol
LogP2.59
Rot. Bonds2

About 3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile

3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile (PubChem CID 10774243) has the molecular formula C10H17NOSi and a molecular weight of 195.34 g/mol. Its IUPAC name is 3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile
PubChem CID10774243
Molecular FormulaC10H17NOSi
Molecular Weight195.34 g/mol
Exact Mass195.11
IUPAC Name3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile
SMILESC[Si]1(C)CCC(=O)C(CCC#N)C1
InChIInChI=1S/C10H17NOSi/c1-13(2)7-5-10(12)9(8-13)4-3-6-11/h9H,3-5,7-8H2,1-2H3
InChIKeyVWRXAICHWNSZQM-UHFFFAOYSA-N
XLogP2.59
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
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 3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile?
The IUPAC name of 3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile (CID 10774243) is 3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile.
What is the SMILES notation for 3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile?
The canonical SMILES for 3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile is C[Si]1(C)CCC(=O)C(CCC#N)C1.
What is the InChIKey of 3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile?
The InChIKey is VWRXAICHWNSZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOSi/c1-13(2)7-5-10(12)9(8-13)4-3-6-11/h9H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile?
3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile has a molecular weight of 195.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dimethyl-4-oxosilinan-3-yl)propanenitrile is sourced from PubChem (CID 10774243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).