N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide

C15H21N3O — CID 13463201

IUPACN-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
SMILESNc1ccc(NC(=O)CC23CCCN2CCC3)cc1
InChIInChI=1S/C15H21N3O/c16-12-3-5-13(6-4-12)17-14(19)11-15-7-1-9-18(15)10-2-8-15/h3-6H,1-2,7-11,16H2,(H,17,19)
InChIKeyBXTDRTSLHRRMHU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.23
Rot. Bonds3

About N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide

N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide (PubChem CID 13463201) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
PubChem CID13463201
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
SMILESNc1ccc(NC(=O)CC23CCCN2CCC3)cc1
InChIInChI=1S/C15H21N3O/c16-12-3-5-13(6-4-12)17-14(19)11-15-7-1-9-18(15)10-2-8-15/h3-6H,1-2,7-11,16H2,(H,17,19)
InChIKeyBXTDRTSLHRRMHU-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide (CID 13463201) is N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide is Nc1ccc(NC(=O)CC23CCCN2CCC3)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide?
The InChIKey is BXTDRTSLHRRMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-12-3-5-13(6-4-12)17-14(19)11-15-7-1-9-18(15)10-2-8-15/h3-6H,1-2,7-11,16H2,(H,17,19).
What are the key properties of N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide?
N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide is sourced from PubChem (CID 13463201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).