N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide

C15H17N3O3 — CID 6090239

IUPACN-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\CC2CCC1C2
InChIInChI=1S/C15H17N3O3/c19-15(9-10-2-5-13(6-3-10)18(20)21)17-16-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12H,1,4,7-9H2,(H,17,19)/b16-14+
InChIKeyLMDYJALQGMNNBR-JQIJEIRASA-N
MW287.32 g/mol
LogP2.43
Rot. Bonds4

About N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide

N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 6090239) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID6090239
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\CC2CCC1C2
InChIInChI=1S/C15H17N3O3/c19-15(9-10-2-5-13(6-3-10)18(20)21)17-16-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12H,1,4,7-9H2,(H,17,19)/b16-14+
InChIKeyLMDYJALQGMNNBR-JQIJEIRASA-N
XLogP2.43
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
CID 6384080
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylideneamino]-2-(4-nitrophenyl)acetamide
CID 3296088
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
CID 43594379
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide
CID 4141533
2-(4-nitrophenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413628
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide
CID 98192372
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
2-(4-nitrophenyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide
CID 7459077
N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5116779
2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
CID 3396450
potassium 2-(4-nitrophenyl)acetate
CID 15261201

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide (CID 6090239) is N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\CC2CCC1C2.
What is the InChIKey of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is LMDYJALQGMNNBR-JQIJEIRASA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(9-10-2-5-13(6-3-10)18(20)21)17-16-14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12H,1,4,7-9H2,(H,17,19)/b16-14+.
What are the key properties of N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 6090239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).