2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one

C13H18N2O — CID 140971156

IUPAC2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)c1ccccc1N
InChIInChI=1S/C13H18N2O/c1-10(11-6-2-3-7-12(11)14)13(16)15-8-4-5-9-15/h2-3,6-7,10H,4-5,8-9,14H2,1H3
InChIKeyMLJZRUFNVJUTRF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.99
Rot. Bonds2

About 2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one

2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 140971156) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID140971156
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)c1ccccc1N
InChIInChI=1S/C13H18N2O/c1-10(11-6-2-3-7-12(11)14)13(16)15-8-4-5-9-15/h2-3,6-7,10H,4-5,8-9,14H2,1H3
InChIKeyMLJZRUFNVJUTRF-UHFFFAOYSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 140971156) is 2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MLJZRUFNVJUTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(11-6-2-3-7-12(11)14)13(16)15-8-4-5-9-15/h2-3,6-7,10H,4-5,8-9,14H2,1H3.
What are the key properties of 2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one?
2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 140971156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).