(3S)-3-phenylpyrrolidine-3-carbonitrile

C11H12N2 — CID 124673264

IUPAC(3S)-3-phenylpyrrolidine-3-carbonitrile
SMILESN#C[C@]1(c2ccccc2)CCNC1
InChIInChI=1S/C11H12N2/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h1-5,13H,6-7,9H2/t11-/m1/s1
InChIKeyDAZIZRRBQTVAJV-LLVKDONJSA-N
MW172.23 g/mol
LogP1.44
Rot. Bonds1

About (3S)-3-phenylpyrrolidine-3-carbonitrile

(3S)-3-phenylpyrrolidine-3-carbonitrile (PubChem CID 124673264) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3S)-3-phenylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-3-phenylpyrrolidine-3-carbonitrile
PubChem CID124673264
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(3S)-3-phenylpyrrolidine-3-carbonitrile
SMILESN#C[C@]1(c2ccccc2)CCNC1
InChIInChI=1S/C11H12N2/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h1-5,13H,6-7,9H2/t11-/m1/s1
InChIKeyDAZIZRRBQTVAJV-LLVKDONJSA-N
XLogP1.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylcyclopent-3-ene-1-carbonitrile
CID 23374575
4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride
CID 67562162
4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile
CID 22993489
4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride
CID 67559449
4-phenylpiperidin-1-ium-4-carbonitrile chloride
CID 43834393
2-phenylspiro[3.3]heptane-2-carbonitrile
CID 65009327
1-methanidyl-4-phenylpiperidin-1-ium-4-carbonitrile
CID 59619552
4-(4-bromophenyl)piperidine-4-carbonitrile;ethane
CID 144857874
3-methyl-3-phenylpyrrolidine
CID 21098616
CID 163665844
CID 163665844
4-(3-ethylphenyl)piperidine-4-carbonitrile
CID 23587408
(3R)-3-phenylpyrrolidin-3-ol;hydrochloride
CID 154574670

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenylpyrrolidine-3-carbonitrile?
The IUPAC name of (3S)-3-phenylpyrrolidine-3-carbonitrile (CID 124673264) is (3S)-3-phenylpyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S)-3-phenylpyrrolidine-3-carbonitrile?
The canonical SMILES for (3S)-3-phenylpyrrolidine-3-carbonitrile is N#C[C@]1(c2ccccc2)CCNC1.
What is the InChIKey of (3S)-3-phenylpyrrolidine-3-carbonitrile?
The InChIKey is DAZIZRRBQTVAJV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h1-5,13H,6-7,9H2/t11-/m1/s1.
What are the key properties of (3S)-3-phenylpyrrolidine-3-carbonitrile?
(3S)-3-phenylpyrrolidine-3-carbonitrile has a molecular weight of 172.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 124673264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).