N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide

C13H20N2O — CID 4517502

IUPACN-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide
SMILESCCCCCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C13H20N2O/c1-2-3-4-8-13(16)15-14-12-9-10-6-5-7-11(10)12/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyKXMXXDWRUZGEBI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.63
Rot. Bonds5

About N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide (PubChem CID 4517502) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide
PubChem CID4517502
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide
SMILESCCCCCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C13H20N2O/c1-2-3-4-8-13(16)15-14-12-9-10-6-5-7-11(10)12/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyKXMXXDWRUZGEBI-UHFFFAOYSA-N
XLogP2.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide (CID 4517502) is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide is CCCCCC(=O)NN=C1CC2C=CCC12.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide?
The InChIKey is KXMXXDWRUZGEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-4-8-13(16)15-14-12-9-10-6-5-7-11(10)12/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,16).
What are the key properties of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide?
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide has a molecular weight of 220.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide is sourced from PubChem (CID 4517502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).