(2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile

C19H17N3 — CID 11500212

IUPAC(2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile
SMILESN#C[C@@H]1CC[C@H](C#N)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3/c20-13-17-11-12-18(14-21)22(17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-12H2/t17-,18+
InChIKeySPPLNZZXQWKXKX-HDICACEKSA-N
MW287.37 g/mol
LogP3.66
Rot. Bonds3

About (2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile

(2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile (PubChem CID 11500212) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is (2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile.

Molecular Properties

Compound Name(2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile
PubChem CID11500212
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name(2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile
SMILESN#C[C@@H]1CC[C@H](C#N)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3/c20-13-17-11-12-18(14-21)22(17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-12H2/t17-,18+
InChIKeySPPLNZZXQWKXKX-HDICACEKSA-N
XLogP3.66
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-benzhydrylpiperazine-2-carbonitrile;dihydrochloride
CID 178079938
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CID 70025328
4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carbonitrile
CID 69378274
2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile
CID 94847184
1-[iodo(phenyl)methyl]pyrrolidine-3-carbonitrile
CID 68788994
(2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile
CID 15304179
(2R)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile
CID 15304180
8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 23381484
1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
CID 48940005
(2S,4S)-4-fluoro-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
CID 176907962
1-[(2-cyanoaziridin-1-yl)-phenylmethyl]aziridine-2-carboxamide
CID 20511111
1-benzhydrylaziridin-2-ol
CID 22253575

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile?
The IUPAC name of (2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile (CID 11500212) is (2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile.
What is the SMILES notation for (2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile?
The canonical SMILES for (2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile is N#C[C@@H]1CC[C@H](C#N)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile?
The InChIKey is SPPLNZZXQWKXKX-HDICACEKSA-N. The full InChI is InChI=1S/C19H17N3/c20-13-17-11-12-18(14-21)22(17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-12H2/t17-,18+.
What are the key properties of (2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile?
(2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile has a molecular weight of 287.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile is sourced from PubChem (CID 11500212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).