4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile

C23H26N2 — CID 24781275

IUPAC4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile
SMILESC[C@@H]1CCCN1CCC1C[C@@H]1c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H26N2/c1-17-3-2-13-25(17)14-12-22-15-23(22)21-10-8-20(9-11-21)19-6-4-18(16-24)5-7-19/h4-11,17,22-23H,2-3,12-15H2,1H3/t17-,22?,23-/m1/s1
InChIKeyGXRGZQKECFRLHL-NUQQNKIWSA-N
MW330.48 g/mol
LogP5.20
Rot. Bonds5

About 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile

4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile (PubChem CID 24781275) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile
PubChem CID24781275
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile
SMILESC[C@@H]1CCCN1CCC1C[C@@H]1c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H26N2/c1-17-3-2-13-25(17)14-12-22-15-23(22)21-10-8-20(9-11-21)19-6-4-18(16-24)5-7-19/h4-11,17,22-23H,2-3,12-15H2,1H3/t17-,22?,23-/m1/s1
InChIKeyGXRGZQKECFRLHL-NUQQNKIWSA-N
XLogP5.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(1S,2R)-2-[2-(azepan-1-yl)ethyl]cyclopropyl]phenyl]benzonitrile
CID 24781278
(2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine
CID 141193185
4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-7-yl]benzonitrile
CID 25217888
4-[2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
CID 11255988
4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile
CID 57418062
4-[3-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]isoquinolin-7-yl]benzonitrile
CID 10088709
4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-oxo-3H-isoindol-5-yl]benzonitrile
CID 68729339
2-[(1S,2R)-2-[4-(4-cyanophenyl)phenyl]cyclopropyl]ethyl methanesulfonate
CID 87744734
(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
CID 69230539
(2R)-1-[[(2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
CID 69230542
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625
1-[4-[(1S,2S)-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]piperidine
CID 67054638

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile (CID 24781275) is 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile is C[C@@H]1CCCN1CCC1C[C@@H]1c1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile?
The InChIKey is GXRGZQKECFRLHL-NUQQNKIWSA-N. The full InChI is InChI=1S/C23H26N2/c1-17-3-2-13-25(17)14-12-22-15-23(22)21-10-8-20(9-11-21)19-6-4-18(16-24)5-7-19/h4-11,17,22-23H,2-3,12-15H2,1H3/t17-,22?,23-/m1/s1.
What are the key properties of 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile?
4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile has a molecular weight of 330.48 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile is sourced from PubChem (CID 24781275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).