2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile

C20H22N2 — CID 57132823

IUPAC2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile
SMILESCCN1CCC(C(C#N)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H22N2/c1-2-22-14-13-19(15-22)20(16-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-15H2,1H3
InChIKeyCLRZIQGKTOQIDR-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.84
Rot. Bonds4

About 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile

2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile (PubChem CID 57132823) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile
PubChem CID57132823
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile
SMILESCCN1CCC(C(C#N)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H22N2/c1-2-22-14-13-19(15-22)20(16-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-15H2,1H3
InChIKeyCLRZIQGKTOQIDR-UHFFFAOYSA-N
XLogP3.84
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile (CID 57132823) is 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile is CCN1CCC(C(C#N)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile?
The InChIKey is CLRZIQGKTOQIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-2-22-14-13-19(15-22)20(16-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-15H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile?
2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile has a molecular weight of 290.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)-2,2-diphenylacetonitrile is sourced from PubChem (CID 57132823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).