3-(3-aminopyrrolidin-1-yl)benzonitrile

C11H13N3 — CID 62068386

IUPAC3-(3-aminopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1cccc(N2CCC(N)C2)c1
InChIInChI=1S/C11H13N3/c12-7-9-2-1-3-11(6-9)14-5-4-10(13)8-14/h1-3,6,10H,4-5,8,13H2
InChIKeyQQKVLMIGDWRIIM-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.10
Rot. Bonds1

About 3-(3-aminopyrrolidin-1-yl)benzonitrile

3-(3-aminopyrrolidin-1-yl)benzonitrile (PubChem CID 62068386) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)benzonitrile
PubChem CID62068386
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3-(3-aminopyrrolidin-1-yl)benzonitrile
SMILESN#Cc1cccc(N2CCC(N)C2)c1
InChIInChI=1S/C11H13N3/c12-7-9-2-1-3-11(6-9)14-5-4-10(13)8-14/h1-3,6,10H,4-5,8,13H2
InChIKeyQQKVLMIGDWRIIM-UHFFFAOYSA-N
XLogP1.10
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-1-phenylpyrrolidin-3-amine
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3-[3-(aminomethyl)piperazin-1-yl]benzonitrile
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3-(2-bromomorpholin-4-yl)benzonitrile
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2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride
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3-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)benzonitrile
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3-[4-[2-(4-methylcyclohexyl)ethyl]piperazin-1-yl]benzonitrile
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4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)benzonitrile?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)benzonitrile (CID 62068386) is 3-(3-aminopyrrolidin-1-yl)benzonitrile.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)benzonitrile?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)benzonitrile is N#Cc1cccc(N2CCC(N)C2)c1.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)benzonitrile?
The InChIKey is QQKVLMIGDWRIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-7-9-2-1-3-11(6-9)14-5-4-10(13)8-14/h1-3,6,10H,4-5,8,13H2.
What are the key properties of 3-(3-aminopyrrolidin-1-yl)benzonitrile?
3-(3-aminopyrrolidin-1-yl)benzonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)benzonitrile is sourced from PubChem (CID 62068386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).