4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile

C12H22N2O — CID 65251615

IUPAC4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCOCC1CCN(CCC(C)(C)C#N)C1
InChIInChI=1S/C12H22N2O/c1-12(2,10-13)5-7-14-6-4-11(8-14)9-15-3/h11H,4-9H2,1-3H3
InChIKeyDWLXDYVWHOPLAP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.89
Rot. Bonds5

About 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile

4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 65251615) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile
PubChem CID65251615
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCOCC1CCN(CCC(C)(C)C#N)C1
InChIInChI=1S/C12H22N2O/c1-12(2,10-13)5-7-14-6-4-11(8-14)9-15-3/h11H,4-9H2,1-3H3
InChIKeyDWLXDYVWHOPLAP-UHFFFAOYSA-N
XLogP1.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile (CID 65251615) is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile is COCC1CCN(CCC(C)(C)C#N)C1.
What is the InChIKey of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is DWLXDYVWHOPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,10-13)5-7-14-6-4-11(8-14)9-15-3/h11H,4-9H2,1-3H3.
What are the key properties of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile?
4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile has a molecular weight of 210.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).