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

C9H12N2O — CID 5155039

IUPACN-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide
SMILESCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C9H12N2O/c1-6(12)10-11-9-5-7-3-2-4-8(7)9/h2-3,7-8H,4-5H2,1H3,(H,10,12)
InChIKeyRLYAESKEAXHZOH-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.07
Rot. Bonds1

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

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide (PubChem CID 5155039) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide
PubChem CID5155039
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide
SMILESCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C9H12N2O/c1-6(12)10-11-9-5-7-3-2-4-8(7)9/h2-3,7-8H,4-5H2,1H3,(H,10,12)
InChIKeyRLYAESKEAXHZOH-UHFFFAOYSA-N
XLogP1.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.07
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

[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea
CID 6017273
(6-Bicyclo[3.2.0]hept-2-enylideneamino)urea
CID 297182
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-(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)oxamide
CID 4183850
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)nonanamide
CID 4193660
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide
CID 4517502
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)undecanamide
CID 4564775
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclopropanecarboxamide
CID 4588938
[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]urea
CID 5383418

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide (CID 5155039) is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide is CC(=O)NN=C1CC2C=CCC12.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide?
The InChIKey is RLYAESKEAXHZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(12)10-11-9-5-7-3-2-4-8(7)9/h2-3,7-8H,4-5H2,1H3,(H,10,12).
What are the key properties of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide?
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)acetamide has a molecular weight of 164.21 g/mol, XLogP of 1.07, 1 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)acetamide is sourced from PubChem (CID 5155039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).