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

C15H24N2O — CID 3361607

IUPACN-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide
SMILESCCCCCCCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C15H24N2O/c1-2-3-4-5-6-10-15(18)17-16-14-11-12-8-7-9-13(12)14/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,18)
InChIKeyNZHKXNXJBBMFAJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.42
Rot. Bonds7

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

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide (PubChem CID 3361607) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide
PubChem CID3361607
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide
SMILESCCCCCCCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C15H24N2O/c1-2-3-4-5-6-10-15(18)17-16-14-11-12-8-7-9-13(12)14/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,18)
InChIKeyNZHKXNXJBBMFAJ-UHFFFAOYSA-N
XLogP3.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.42
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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Related Compounds

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide
CID 4517502
N-[(E)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-methylbutanamide
CID 40570300
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
CID 3745194
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 27516899
N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 51421239
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide
CID 42554314
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 40605805
N-(cyclododecylideneamino)dodecanamide
CID 4575376
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)pentanediamide
CID 4155511
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 9316703
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 5070678
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-3,4,5-trihydroxybenzamide
CID 4112713

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide (CID 3361607) is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide is CCCCCCCC(=O)NN=C1CC2C=CCC12.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide?
The InChIKey is NZHKXNXJBBMFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-4-5-6-10-15(18)17-16-14-11-12-8-7-9-13(12)14/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,18).
What are the key properties of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide?
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide has a molecular weight of 248.37 g/mol, XLogP of 3.42, 7 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)octanamide is sourced from PubChem (CID 3361607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).