2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile

C13H16N2O — CID 66518962

IUPAC2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
SMILESCOc1ccc([C@H]2CCCN2)cc1CC#N
InChIInChI=1S/C13H16N2O/c1-16-13-5-4-10(9-11(13)6-7-14)12-3-2-8-15-12/h4-5,9,12,15H,2-3,6,8H2,1H3/t12-/m1/s1
InChIKeyXOPWPCBVSTYZQL-GFCCVEGCSA-N
MW216.28 g/mol
LogP2.19
Rot. Bonds3

About 2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile

2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile (PubChem CID 66518962) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
PubChem CID66518962
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
SMILESCOc1ccc([C@H]2CCCN2)cc1CC#N
InChIInChI=1S/C13H16N2O/c1-16-13-5-4-10(9-11(13)6-7-14)12-3-2-8-15-12/h4-5,9,12,15H,2-3,6,8H2,1H3/t12-/m1/s1
InChIKeyXOPWPCBVSTYZQL-GFCCVEGCSA-N
XLogP2.19
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methoxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518964
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
CID 117371452
(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
2,3-dimethoxy-5-piperidin-2-ylbenzonitrile
CID 117368230
(2R)-2-(4-methoxy-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195879
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile?
The IUPAC name of 2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile (CID 66518962) is 2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile?
The canonical SMILES for 2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile is COc1ccc([C@H]2CCCN2)cc1CC#N.
What is the InChIKey of 2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile?
The InChIKey is XOPWPCBVSTYZQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-13-5-4-10(9-11(13)6-7-14)12-3-2-8-15-12/h4-5,9,12,15H,2-3,6,8H2,1H3/t12-/m1/s1.
What are the key properties of 2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile?
2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile is sourced from PubChem (CID 66518962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).