2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide

C18H19BrN2 — CID 24860077

IUPAC2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide
SMILESBr.N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCNC1
InChIInChI=1S/C18H18N2.BrH/c19-14-18(17-11-12-20-13-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16;/h1-10,17,20H,11-13H2;1H/t17-;/m1./s1
InChIKeyLJVBBQWRRWKVJD-UNTBIKODSA-N
MW343.27 g/mol
LogP3.68
Rot. Bonds3

About 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide

2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide (PubChem CID 24860077) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide.

Molecular Properties

Compound Name2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide
PubChem CID24860077
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide
SMILESBr.N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCNC1
InChIInChI=1S/C18H18N2.BrH/c19-14-18(17-11-12-20-13-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16;/h1-10,17,20H,11-13H2;1H/t17-;/m1./s1
InChIKeyLJVBBQWRRWKVJD-UNTBIKODSA-N
XLogP3.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide?
The IUPAC name of 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide (CID 24860077) is 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide.
What is the SMILES notation for 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide?
The canonical SMILES for 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide is Br.N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCNC1.
What is the InChIKey of 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide?
The InChIKey is LJVBBQWRRWKVJD-UNTBIKODSA-N. The full InChI is InChI=1S/C18H18N2.BrH/c19-14-18(17-11-12-20-13-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16;/h1-10,17,20H,11-13H2;1H/t17-;/m1./s1.
What are the key properties of 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide?
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide has a molecular weight of 343.27 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide is sourced from PubChem (CID 24860077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).