N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide

C13H15N3O3 — CID 43594379

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1C2CNCC21
InChIInChI=1S/C13H15N3O3/c17-12(15-13-10-6-14-7-11(10)13)5-8-1-3-9(4-2-8)16(18)19/h1-4,10-11,13-14H,5-7H2,(H,15,17)
InChIKeyZIGFULRZDPTIAR-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.47
Rot. Bonds4

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide (PubChem CID 43594379) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
PubChem CID43594379
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1C2CNCC21
InChIInChI=1S/C13H15N3O3/c17-12(15-13-10-6-14-7-11(10)13)5-8-1-3-9(4-2-8)16(18)19/h1-4,10-11,13-14H,5-7H2,(H,15,17)
InChIKeyZIGFULRZDPTIAR-UHFFFAOYSA-N
XLogP0.47
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
potassium 2-(4-nitrophenyl)acetate
CID 15261201
2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630422
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3,4-dimethylphenyl)acetamide
CID 62539474
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide
CID 43594400
2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084672
2-(4-nitrophenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413628
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide (CID 43594379) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide?
The InChIKey is ZIGFULRZDPTIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12(15-13-10-6-14-7-11(10)13)5-8-1-3-9(4-2-8)16(18)19/h1-4,10-11,13-14H,5-7H2,(H,15,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 43594379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).