(4-aminophenyl)-pyrrolidin-1-ylmethanone

C11H14N2O — CID 577800

IUPAC(4-aminophenyl)-pyrrolidin-1-ylmethanone
SMILESNc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C11H14N2O/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8,12H2
InChIKeyWDNQOCWBZBGFHU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.50
Rot. Bonds1

About (4-aminophenyl)-pyrrolidin-1-ylmethanone

(4-aminophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 577800) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (4-aminophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-aminophenyl)-pyrrolidin-1-ylmethanone
PubChem CID577800
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(4-aminophenyl)-pyrrolidin-1-ylmethanone
SMILESNc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C11H14N2O/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8,12H2
InChIKeyWDNQOCWBZBGFHU-UHFFFAOYSA-N
XLogP1.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.50
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 (4-aminophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-aminophenyl)-pyrrolidin-1-ylmethanone (CID 577800) is (4-aminophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-aminophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-aminophenyl)-pyrrolidin-1-ylmethanone is Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of (4-aminophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is WDNQOCWBZBGFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8,12H2.
What are the key properties of (4-aminophenyl)-pyrrolidin-1-ylmethanone?
(4-aminophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 190.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 577800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).