2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile

C16H30N2OSi — CID 54231010

IUPAC2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile
SMILESCCC(CC(C#N)CC(C)N1CCCC1=O)[Si](C)(C)C
InChIInChI=1S/C16H30N2OSi/c1-6-15(20(3,4)5)11-14(12-17)10-13(2)18-9-7-8-16(18)19/h13-15H,6-11H2,1-5H3
InChIKeyQJGIDAYDTHTLJN-UHFFFAOYSA-N
MW294.52 g/mol
LogP4.04
Rot. Bonds7

About 2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile

2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile (PubChem CID 54231010) has the molecular formula C16H30N2OSi and a molecular weight of 294.52 g/mol. Its IUPAC name is 2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile.

Molecular Properties

Compound Name2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile
PubChem CID54231010
Molecular FormulaC16H30N2OSi
Molecular Weight294.52 g/mol
Exact Mass294.21
IUPAC Name2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile
SMILESCCC(CC(C#N)CC(C)N1CCCC1=O)[Si](C)(C)C
InChIInChI=1S/C16H30N2OSi/c1-6-15(20(3,4)5)11-14(12-17)10-13(2)18-9-7-8-16(18)19/h13-15H,6-11H2,1-5H3
InChIKeyQJGIDAYDTHTLJN-UHFFFAOYSA-N
XLogP4.04
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.52
LogP ≤ 54.04
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 2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile?
The IUPAC name of 2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile (CID 54231010) is 2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile.
What is the SMILES notation for 2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile?
The canonical SMILES for 2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile is CCC(CC(C#N)CC(C)N1CCCC1=O)[Si](C)(C)C.
What is the InChIKey of 2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile?
The InChIKey is QJGIDAYDTHTLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OSi/c1-6-15(20(3,4)5)11-14(12-17)10-13(2)18-9-7-8-16(18)19/h13-15H,6-11H2,1-5H3.
What are the key properties of 2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile?
2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile has a molecular weight of 294.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopyrrolidin-1-yl)propyl]-4-trimethylsilylhexanenitrile is sourced from PubChem (CID 54231010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).