(2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile

C25H24N2O — CID 71613979

IUPAC(2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O/c26-19-23(20-11-4-1-5-12-20)27-18-10-17-24(27)25(28,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-24,28H,10,17-18H2/t23-,24+/m1/s1
InChIKeyOXJMSRDBJFEFHP-RPWUZVMVSA-N
MW368.48 g/mol
LogP4.65
Rot. Bonds5

About (2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile

(2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile (PubChem CID 71613979) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile
PubChem CID71613979
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name(2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N2O/c26-19-23(20-11-4-1-5-12-20)27-18-10-17-24(27)25(28,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-24,28H,10,17-18H2/t23-,24+/m1/s1
InChIKeyOXJMSRDBJFEFHP-RPWUZVMVSA-N
XLogP4.65
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile?
The IUPAC name of (2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile (CID 71613979) is (2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile is N#C[C@H](c1ccccc1)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile?
The InChIKey is OXJMSRDBJFEFHP-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H24N2O/c26-19-23(20-11-4-1-5-12-20)27-18-10-17-24(27)25(28,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-24,28H,10,17-18H2/t23-,24+/m1/s1.
What are the key properties of (2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile?
(2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile has a molecular weight of 368.48 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile is sourced from PubChem (CID 71613979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).