N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide

C15H15N3O4 — CID 9467244

IUPACN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C1/C[C@H]2C=CC[C@@H]12
InChIInChI=1S/C15H15N3O4/c19-15(17-16-12-8-10-4-3-5-11(10)12)9-22-14-7-2-1-6-13(14)18(20)21/h1-4,6-7,10-11H,5,8-9H2,(H,17,19)/b16-12-/t10-,11-/m1/s1
InChIKeyVTLJZWVWWAKGPH-MQMXVKAKSA-N
MW301.30 g/mol
LogP2.04
Rot. Bonds5

About N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide

N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide (PubChem CID 9467244) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
PubChem CID9467244
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C1/C[C@H]2C=CC[C@@H]12
InChIInChI=1S/C15H15N3O4/c19-15(17-16-12-8-10-4-3-5-11(10)12)9-22-14-7-2-1-6-13(14)18(20)21/h1-4,6-7,10-11H,5,8-9H2,(H,17,19)/b16-12-/t10-,11-/m1/s1
InChIKeyVTLJZWVWWAKGPH-MQMXVKAKSA-N
XLogP2.04
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide
CID 9315386
N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
CID 4569271
N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467129
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467120
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide
CID 9242073
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 119476242
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,4-dimethoxybenzamide
CID 9232780
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
CID 47439210
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide (CID 9467244) is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])N/N=C1/C[C@H]2C=CC[C@@H]12.
What is the InChIKey of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is VTLJZWVWWAKGPH-MQMXVKAKSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-15(17-16-12-8-10-4-3-5-11(10)12)9-22-14-7-2-1-6-13(14)18(20)21/h1-4,6-7,10-11H,5,8-9H2,(H,17,19)/b16-12-/t10-,11-/m1/s1.
What are the key properties of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide?
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 301.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 9467244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).