2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile

C12H15N3 — CID 118128434

IUPAC2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile
SMILESN#CCN1CC(N)C(c2ccccc2)C1
InChIInChI=1S/C12H15N3/c13-6-7-15-8-11(12(14)9-15)10-4-2-1-3-5-10/h1-5,11-12H,7-9,14H2
InChIKeyFUZFILYMMIREQB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.94
Rot. Bonds2

About 2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile

2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile (PubChem CID 118128434) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile
PubChem CID118128434
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile
SMILESN#CCN1CC(N)C(c2ccccc2)C1
InChIInChI=1S/C12H15N3/c13-6-7-15-8-11(12(14)9-15)10-4-2-1-3-5-10/h1-5,11-12H,7-9,14H2
InChIKeyFUZFILYMMIREQB-UHFFFAOYSA-N
XLogP0.94
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769959
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 120761553
(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770244
(3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846833
(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
CID 86283678
1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188709
(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188707
(3R,4S)-1-(1,3-difluoropropan-2-yl)-4-phenylpyrrolidin-3-amine
CID 118128593
(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770437

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile?
The IUPAC name of 2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile (CID 118128434) is 2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile is N#CCN1CC(N)C(c2ccccc2)C1.
What is the InChIKey of 2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile?
The InChIKey is FUZFILYMMIREQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-6-7-15-8-11(12(14)9-15)10-4-2-1-3-5-10/h1-5,11-12H,7-9,14H2.
What are the key properties of 2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile?
2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile has a molecular weight of 201.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile is sourced from PubChem (CID 118128434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).