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

C14H20N2O — CID 3456277

IUPACN-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide
SMILESO=C(NN=C1CC2C=CCC12)C1CCCCC1
InChIInChI=1S/C14H20N2O/c17-14(10-5-2-1-3-6-10)16-15-13-9-11-7-4-8-12(11)13/h4,7,10-12H,1-3,5-6,8-9H2,(H,16,17)
InChIKeyCSKUPJIJZIEQBV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.63
Rot. Bonds2

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

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide (PubChem CID 3456277) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide
PubChem CID3456277
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide
SMILESO=C(NN=C1CC2C=CCC12)C1CCCCC1
InChIInChI=1S/C14H20N2O/c17-14(10-5-2-1-3-6-10)16-15-13-9-11-7-4-8-12(11)13/h4,7,10-12H,1-3,5-6,8-9H2,(H,16,17)
InChIKeyCSKUPJIJZIEQBV-UHFFFAOYSA-N
XLogP2.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'~1~,N'~7~-Dibicyclo[3.2.0]hept-3-EN-6-ylidenheptanedihydrazide
CID 9624837
N'~1~,N'~6~-Dibicyclo[3.2.0]hept-3-EN-6-ylidenhexanedihydrazide
CID 9670029
3-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 142842094
2,4,5,5a-Tetrahydro-1,2-benzodiazepin-3-one
CID 163798107
N-[(E)-4-methylpent-3-en-2-ylideneamino]cyclohexanecarboxamide
CID 171400493
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)decanamide
CID 3349650
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide
CID 3361607
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)heptanediamide
CID 3536131
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-3-methylbutanamide
CID 3626824
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide
CID 3724265
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)dodecanamide
CID 4182915
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)nonanamide
CID 4193660

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide (CID 3456277) is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide is O=C(NN=C1CC2C=CCC12)C1CCCCC1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide?
The InChIKey is CSKUPJIJZIEQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14(10-5-2-1-3-6-10)16-15-13-9-11-7-4-8-12(11)13/h4,7,10-12H,1-3,5-6,8-9H2,(H,16,17).
What are the key properties of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide?
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.63, 2 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)cyclohexanecarboxamide is sourced from PubChem (CID 3456277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).