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

C9H12N2O — CID 6286046

IUPACN-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide
SMILESCC(=O)N/N=C1/CC2C=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)/b11-9-
InChIKeyRLYAESKEAXHZOH-LUAWRHEFSA-N
MW164.21 g/mol
LogP1.07
Rot. Bonds1

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

N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide (PubChem CID 6286046) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide
PubChem CID6286046
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide
SMILESCC(=O)N/N=C1/CC2C=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)/b11-9-
InChIKeyRLYAESKEAXHZOH-LUAWRHEFSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide?
The IUPAC name of N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide (CID 6286046) is N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide?
The canonical SMILES for N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide is CC(=O)N/N=C1/CC2C=CCC12.
What is the InChIKey of N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide?
The InChIKey is RLYAESKEAXHZOH-LUAWRHEFSA-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)/b11-9-.
What are the key properties of N-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide?
N-[(Z)-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-[(Z)-6-bicyclo[3.2.0]hept-2-enylideneamino]acetamide is sourced from PubChem (CID 6286046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).