1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile

C13H22N2 — CID 126539788

IUPAC1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile
SMILESCCC1(C)CCN(CC2(C#N)CCC2)C1
InChIInChI=1S/C13H22N2/c1-3-12(2)7-8-15(10-12)11-13(9-14)5-4-6-13/h3-8,10-11H2,1-2H3
InChIKeyFWLWZYAUSDZYGG-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.80
Rot. Bonds3

About 1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile

1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile (PubChem CID 126539788) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile
PubChem CID126539788
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile
SMILESCCC1(C)CCN(CC2(C#N)CCC2)C1
InChIInChI=1S/C13H22N2/c1-3-12(2)7-8-15(10-12)11-13(9-14)5-4-6-13/h3-8,10-11H2,1-2H3
InChIKeyFWLWZYAUSDZYGG-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile (CID 126539788) is 1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile is CCC1(C)CCN(CC2(C#N)CCC2)C1.
What is the InChIKey of 1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is FWLWZYAUSDZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-12(2)7-8-15(10-12)11-13(9-14)5-4-6-13/h3-8,10-11H2,1-2H3.
What are the key properties of 1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile?
1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 206.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 126539788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).