N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide

C16H18N4O2 — CID 3455787

IUPACN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide
SMILESO=C(NN=C1CC2CC=CC12)C(=O)NN=C1CC2CC=CC12
InChIInChI=1S/C16H18N4O2/c21-15(19-17-13-7-9-3-1-5-11(9)13)16(22)20-18-14-8-10-4-2-6-12(10)14/h1-2,5-6,9-12H,3-4,7-8H2,(H,19,21)(H,20,22)
InChIKeyGRDISVFBUGHXFF-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.12
Rot. Bonds2

About N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide

N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide (PubChem CID 3455787) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide.

Molecular Properties

Compound NameN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide
PubChem CID3455787
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide
SMILESO=C(NN=C1CC2CC=CC12)C(=O)NN=C1CC2CC=CC12
InChIInChI=1S/C16H18N4O2/c21-15(19-17-13-7-9-3-1-5-11(9)13)16(22)20-18-14-8-10-4-2-6-12(10)14/h1-2,5-6,9-12H,3-4,7-8H2,(H,19,21)(H,20,22)
InChIKeyGRDISVFBUGHXFF-UHFFFAOYSA-N
XLogP1.12
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide?
The IUPAC name of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide (CID 3455787) is N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide.
What is the SMILES notation for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide?
The canonical SMILES for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide is O=C(NN=C1CC2CC=CC12)C(=O)NN=C1CC2CC=CC12.
What is the InChIKey of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide?
The InChIKey is GRDISVFBUGHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15(19-17-13-7-9-3-1-5-11(9)13)16(22)20-18-14-8-10-4-2-6-12(10)14/h1-2,5-6,9-12H,3-4,7-8H2,(H,19,21)(H,20,22).
What are the key properties of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide?
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide has a molecular weight of 298.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)oxamide is sourced from PubChem (CID 3455787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).