N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide

C15H17N3O3 — CID 5116779

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=CC1CC=CCC1
InChIInChI=1S/C15H17N3O3/c19-15(17-16-11-13-4-2-1-3-5-13)10-12-6-8-14(9-7-12)18(20)21/h1-2,6-9,11,13H,3-5,10H2,(H,17,19)
InChIKeyJHFHHNYXLJIVOU-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.60
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide

N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide (PubChem CID 5116779) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide
PubChem CID5116779
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=CC1CC=CCC1
InChIInChI=1S/C15H17N3O3/c19-15(17-16-11-13-4-2-1-3-5-13)10-12-6-8-14(9-7-12)18(20)21/h1-2,6-9,11,13H,3-5,10H2,(H,17,19)
InChIKeyJHFHHNYXLJIVOU-UHFFFAOYSA-N
XLogP2.60
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
CID 3396450
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide
CID 5413481
N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide
CID 5053331
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide
CID 98462475
N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
CID 6384080
N-(cyclohexylmethylideneamino)-4-nitrobenzamide
CID 4625468
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773
N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1353406
N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5048293
N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
CID 5338217

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide (CID 5116779) is N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NN=CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide?
The InChIKey is JHFHHNYXLJIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(17-16-11-13-4-2-1-3-5-13)10-12-6-8-14(9-7-12)18(20)21/h1-2,6-9,11,13H,3-5,10H2,(H,17,19).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide?
N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 5116779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).