2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide

C15H21N3O — CID 55084044

IUPAC2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
SMILESNc1cccc(CC(=O)NC2CCN3CCCC23)c1
InChIInChI=1S/C15H21N3O/c16-12-4-1-3-11(9-12)10-15(19)17-13-6-8-18-7-2-5-14(13)18/h1,3-4,9,13-14H,2,5-8,10,16H2,(H,17,19)
InChIKeyLHPYPJCTLBBUQO-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.16
Rot. Bonds3

About 2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide

2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide (PubChem CID 55084044) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
PubChem CID55084044
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
SMILESNc1cccc(CC(=O)NC2CCN3CCCC23)c1
InChIInChI=1S/C15H21N3O/c16-12-4-1-3-11(9-12)10-15(19)17-13-6-8-18-7-2-5-14(13)18/h1,3-4,9,13-14H,2,5-8,10,16H2,(H,17,19)
InChIKeyLHPYPJCTLBBUQO-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride
CID 119857974
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11425456
2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 60868335
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 54968497
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 18930457
2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide
CID 62498054
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzamide
CID 54967315
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(4-nitrophenyl)acetamide
CID 94869816

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide (CID 55084044) is 2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide is Nc1cccc(CC(=O)NC2CCN3CCCC23)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The InChIKey is LHPYPJCTLBBUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-12-4-1-3-11(9-12)10-15(19)17-13-6-8-18-7-2-5-14(13)18/h1,3-4,9,13-14H,2,5-8,10,16H2,(H,17,19).
What are the key properties of 2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide is sourced from PubChem (CID 55084044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).