2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile

C12H14N2O — CID 94406444

IUPAC2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
SMILESN#Cc1ccccc1OC[C@H]1CCCN1
InChIInChI=1S/C12H14N2O/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-2,4,6,11,14H,3,5,7,9H2/t11-/m1/s1
InChIKeyMATREPYERFPXPQ-LLVKDONJSA-N
MW202.26 g/mol
LogP1.69
Rot. Bonds3

About 2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile

2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile (PubChem CID 94406444) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
PubChem CID94406444
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
SMILESN#Cc1ccccc1OC[C@H]1CCCN1
InChIInChI=1S/C12H14N2O/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-2,4,6,11,14H,3,5,7,9H2/t11-/m1/s1
InChIKeyMATREPYERFPXPQ-LLVKDONJSA-N
XLogP1.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 114887698
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009
6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile
CID 62348215
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
2-[4-(2-piperidin-2-ylethyl)phenoxy]benzonitrile
CID 23339372
2-fluoro-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 107923348
2-(azetidin-3-ylmethoxy)benzonitrile
CID 67355381

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile?
The IUPAC name of 2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile (CID 94406444) is 2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile.
What is the SMILES notation for 2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile?
The canonical SMILES for 2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile is N#Cc1ccccc1OC[C@H]1CCCN1.
What is the InChIKey of 2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile?
The InChIKey is MATREPYERFPXPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14N2O/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-2,4,6,11,14H,3,5,7,9H2/t11-/m1/s1.
What are the key properties of 2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile?
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile is sourced from PubChem (CID 94406444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).