2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile

C18H18N2 — CID 94847184

IUPAC2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile
SMILESN#CC[C@H]1CCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2/c19-13-11-17-12-14-20(17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-12,14H2/t17-/m0/s1
InChIKeyRJJKESKUBWKDAG-KRWDZBQOSA-N
MW262.36 g/mol
LogP3.76
Rot. Bonds4

About 2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile

2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile (PubChem CID 94847184) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile
PubChem CID94847184
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile
SMILESN#CC[C@H]1CCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2/c19-13-11-17-12-14-20(17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-12,14H2/t17-/m0/s1
InChIKeyRJJKESKUBWKDAG-KRWDZBQOSA-N
XLogP3.76
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzhydrylazetidin-2-yl)methyl 2-cyanoacetate
CID 10018902
(1-benzhydrylazetidin-2-yl)methyl 4-methylbenzenesulfonate
CID 57245873
1-benzhydrylazetidine-2-carbaldehyde
CID 12717145
(1-benzhydrylazetidin-2-yl)methanol;4-methylbenzenesulfonic acid
CID 18968776
2-(5-benzhydryl-5-azaspiro[2.3]hexan-2-yl)acetonitrile
CID 156555263
2-[1-(2-benzhydrylphenyl)aziridin-2-yl]acetonitrile
CID 52911219
2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145394980
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775
(2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile
CID 11500212
2-[1-benzyl-6-(cyanomethyl)piperidin-2-yl]acetonitrile
CID 11118591
(2S)-1-benzhydrylpiperazine-2-carbonitrile;dihydrochloride
CID 178079938
1-benzhydrylaziridin-2-ol
CID 22253575

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile?
The IUPAC name of 2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile (CID 94847184) is 2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile is N#CC[C@H]1CCN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile?
The InChIKey is RJJKESKUBWKDAG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2/c19-13-11-17-12-14-20(17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-12,14H2/t17-/m0/s1.
What are the key properties of 2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile?
2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile has a molecular weight of 262.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile is sourced from PubChem (CID 94847184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).