2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile

C17H17N3 — CID 67060455

IUPAC2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)ccc1N1CCC(N)C1
InChIInChI=1S/C17H17N3/c18-11-15-10-14(13-4-2-1-3-5-13)6-7-17(15)20-9-8-16(19)12-20/h1-7,10,16H,8-9,12,19H2
InChIKeyZUCRUJBFMRIBOO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.76
Rot. Bonds2

About 2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile

2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile (PubChem CID 67060455) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile
PubChem CID67060455
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)ccc1N1CCC(N)C1
InChIInChI=1S/C17H17N3/c18-11-15-10-14(13-4-2-1-3-5-13)6-7-17(15)20-9-8-16(19)12-20/h1-7,10,16H,8-9,12,19H2
InChIKeyZUCRUJBFMRIBOO-UHFFFAOYSA-N
XLogP2.76
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-4-phenylbenzonitrile;hydrochloride
CID 67060561
2-[(3S)-3-aminopyrrolidin-1-yl]-5-(4-fluorophenyl)benzonitrile
CID 67060424
2-(3-aminopyrrolidin-1-yl)-5-(4-fluorophenyl)benzonitrile;hydrochloride
CID 67060466
2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride
CID 67060441
2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
CID 23079907
2-(3-aminopyrrolidin-1-yl)-5-chlorobenzonitrile
CID 62494377
2-[(3S)-3-aminopyrrolidin-1-yl]-5-nitrobenzonitrile
CID 67060532
2-(3-aminopyrrolidin-1-yl)-5-(1,3-thiazol-2-yl)benzonitrile;hydrochloride
CID 67060685
2-(3-aminopyrrolidin-1-yl)-4-bromobenzonitrile
CID 112694717
2-(3-methylpiperidin-1-yl)-4-phenylbenzonitrile
CID 171037824
5-phenyl-2-[3-[6-(trifluoromethyl)pyridazin-3-yl]oxypyrrolidin-1-yl]benzonitrile
CID 170313311

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile (CID 67060455) is 2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile is N#Cc1cc(-c2ccccc2)ccc1N1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile?
The InChIKey is ZUCRUJBFMRIBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-11-15-10-14(13-4-2-1-3-5-13)6-7-17(15)20-9-8-16(19)12-20/h1-7,10,16H,8-9,12,19H2.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile?
2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile has a molecular weight of 263.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile is sourced from PubChem (CID 67060455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).