2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile

C19H19ClN2O — CID 67085980

IUPAC2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile
SMILESN#CC[C@@H]1CCCN1c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C19H19ClN2O/c20-19-9-2-1-5-15(19)14-23-18-8-3-6-17(13-18)22-12-4-7-16(22)10-11-21/h1-3,5-6,8-9,13,16H,4,7,10,12,14H2/t16-/m0/s1
InChIKeyLQAZURHPVBDQAK-INIZCTEOSA-N
MW326.83 g/mol
LogP4.80
Rot. Bonds5

About 2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile

2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile (PubChem CID 67085980) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile
PubChem CID67085980
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile
SMILESN#CC[C@@H]1CCCN1c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C19H19ClN2O/c20-19-9-2-1-5-15(19)14-23-18-8-3-6-17(13-18)22-12-4-7-16(22)10-11-21/h1-3,5-6,8-9,13,16H,4,7,10,12,14H2/t16-/m0/s1
InChIKeyLQAZURHPVBDQAK-INIZCTEOSA-N
XLogP4.80
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile?
The IUPAC name of 2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile (CID 67085980) is 2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile is N#CC[C@@H]1CCCN1c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile?
The InChIKey is LQAZURHPVBDQAK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-19-9-2-1-5-15(19)14-23-18-8-3-6-17(13-18)22-12-4-7-16(22)10-11-21/h1-3,5-6,8-9,13,16H,4,7,10,12,14H2/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile?
2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile has a molecular weight of 326.83 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile is sourced from PubChem (CID 67085980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).