2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile

C11H20N2O — CID 123958706

IUPAC2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile
SMILESCCC1(C)C(C#N)CC(C)(C)N1OC
InChIInChI=1S/C11H20N2O/c1-6-11(4)9(8-12)7-10(2,3)13(11)14-5/h9H,6-7H2,1-5H3
InChIKeyDDDKTCKWMITGGR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.34
Rot. Bonds2

About 2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile

2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile (PubChem CID 123958706) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile
PubChem CID123958706
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile
SMILESCCC1(C)C(C#N)CC(C)(C)N1OC
InChIInChI=1S/C11H20N2O/c1-6-11(4)9(8-12)7-10(2,3)13(11)14-5/h9H,6-7H2,1-5H3
InChIKeyDDDKTCKWMITGGR-UHFFFAOYSA-N
XLogP2.34
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile?
The IUPAC name of 2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile (CID 123958706) is 2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile?
The canonical SMILES for 2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile is CCC1(C)C(C#N)CC(C)(C)N1OC.
What is the InChIKey of 2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile?
The InChIKey is DDDKTCKWMITGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-11(4)9(8-12)7-10(2,3)13(11)14-5/h9H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile?
2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile has a molecular weight of 196.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methoxy-2,5,5-trimethylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 123958706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).