6-azabicyclo[3.2.0]hept-3-en-7-one

C6H7NO — CID 6454737

IUPAC6-azabicyclo[3.2.0]hept-3-en-7-one
SMILESO=C1NC2C=CCC12
InChIInChI=1S/C6H7NO/c8-6-4-2-1-3-5(4)7-6/h1,3-5H,2H2,(H,7,8)
InChIKeyHGDDVGDYVZZSGO-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.06
Rot. Bonds

About 6-azabicyclo[3.2.0]hept-3-en-7-one

6-azabicyclo[3.2.0]hept-3-en-7-one (PubChem CID 6454737) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 6-azabicyclo[3.2.0]hept-3-en-7-one.

Molecular Properties

Compound Name6-azabicyclo[3.2.0]hept-3-en-7-one
PubChem CID6454737
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name6-azabicyclo[3.2.0]hept-3-en-7-one
SMILESO=C1NC2C=CCC12
InChIInChI=1S/C6H7NO/c8-6-4-2-1-3-5(4)7-6/h1,3-5H,2H2,(H,7,8)
InChIKeyHGDDVGDYVZZSGO-UHFFFAOYSA-N
XLogP0.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azabicyclo[3.2.0]hept-3-en-7-one?
The IUPAC name of 6-azabicyclo[3.2.0]hept-3-en-7-one (CID 6454737) is 6-azabicyclo[3.2.0]hept-3-en-7-one.
What is the SMILES notation for 6-azabicyclo[3.2.0]hept-3-en-7-one?
The canonical SMILES for 6-azabicyclo[3.2.0]hept-3-en-7-one is O=C1NC2C=CCC12.
What is the InChIKey of 6-azabicyclo[3.2.0]hept-3-en-7-one?
The InChIKey is HGDDVGDYVZZSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c8-6-4-2-1-3-5(4)7-6/h1,3-5H,2H2,(H,7,8).
What are the key properties of 6-azabicyclo[3.2.0]hept-3-en-7-one?
6-azabicyclo[3.2.0]hept-3-en-7-one has a molecular weight of 109.13 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.2.0]hept-3-en-7-one is sourced from PubChem (CID 6454737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).