(2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile

C20H28N2 — CID 125491908

IUPAC(2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
SMILESCC(C)N1CC[C@H]([C@](C#N)(c2ccccc2)C2CCCC2)C1
InChIInChI=1S/C20H28N2/c1-16(2)22-13-12-19(14-22)20(15-21,18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,6-7,10-14H2,1-2H3/t19-,20+/m0/s1
InChIKeyRCIZTLVHJYJGHB-VQTJNVASSA-N
MW296.46 g/mol
LogP4.37
Rot. Bonds4

About (2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile

(2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile (PubChem CID 125491908) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
PubChem CID125491908
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name(2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
SMILESCC(C)N1CC[C@H]([C@](C#N)(c2ccccc2)C2CCCC2)C1
InChIInChI=1S/C20H28N2/c1-16(2)22-13-12-19(14-22)20(15-21,18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,6-7,10-14H2,1-2H3/t19-,20+/m0/s1
InChIKeyRCIZTLVHJYJGHB-VQTJNVASSA-N
XLogP4.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
CID 125491902
(2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile
CID 125491857
(2R)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 125491837
4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine
CID 164918393
(2S)-2-(1-benzylpiperidin-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]-2-phenylacetonitrile
CID 146168054
(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
CID 125491888
2-cyclopentyl-2-[1-[[1-[4-(1-methylpyrazol-4-yl)sulfonylphenyl]azetidin-3-yl]methyl]piperidin-4-yl]-2-phenylacetonitrile
CID 147044225
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
cyclopropyl 4-[3-[[4-(cyano-cyclopentyl-phenylmethyl)piperidin-1-yl]methyl]azetidin-1-yl]benzoate
CID 166724502
1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride
CID 54604951
2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 87077411
(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 134856178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile?
The IUPAC name of (2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile (CID 125491908) is (2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile.
What is the SMILES notation for (2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile?
The canonical SMILES for (2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile is CC(C)N1CC[C@H]([C@](C#N)(c2ccccc2)C2CCCC2)C1.
What is the InChIKey of (2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile?
The InChIKey is RCIZTLVHJYJGHB-VQTJNVASSA-N. The full InChI is InChI=1S/C20H28N2/c1-16(2)22-13-12-19(14-22)20(15-21,18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,6-7,10-14H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile?
(2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile has a molecular weight of 296.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile is sourced from PubChem (CID 125491908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).