(5S)-1-azabicyclo[3.2.0]hept-3-en-7-one

C6H7NO — CID 70098994

IUPAC(5S)-1-azabicyclo[3.2.0]hept-3-en-7-one
SMILESO=C1C[C@H]2C=CCN12
InChIInChI=1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1-2,5H,3-4H2/t5-/m1/s1
InChIKeyRXIZZWXUCFOEIG-RXMQYKEDSA-N
MW109.13 g/mol
LogP0.16
Rot. Bonds

About (5S)-1-azabicyclo[3.2.0]hept-3-en-7-one

(5S)-1-azabicyclo[3.2.0]hept-3-en-7-one (PubChem CID 70098994) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is (5S)-1-azabicyclo[3.2.0]hept-3-en-7-one.

Molecular Properties

Compound Name(5S)-1-azabicyclo[3.2.0]hept-3-en-7-one
PubChem CID70098994
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name(5S)-1-azabicyclo[3.2.0]hept-3-en-7-one
SMILESO=C1C[C@H]2C=CCN12
InChIInChI=1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1-2,5H,3-4H2/t5-/m1/s1
InChIKeyRXIZZWXUCFOEIG-RXMQYKEDSA-N
XLogP0.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.16
H-Bond Donors ≤ 50
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 (5S)-1-azabicyclo[3.2.0]hept-3-en-7-one?
The IUPAC name of (5S)-1-azabicyclo[3.2.0]hept-3-en-7-one (CID 70098994) is (5S)-1-azabicyclo[3.2.0]hept-3-en-7-one.
What is the SMILES notation for (5S)-1-azabicyclo[3.2.0]hept-3-en-7-one?
The canonical SMILES for (5S)-1-azabicyclo[3.2.0]hept-3-en-7-one is O=C1C[C@H]2C=CCN12.
What is the InChIKey of (5S)-1-azabicyclo[3.2.0]hept-3-en-7-one?
The InChIKey is RXIZZWXUCFOEIG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1-2,5H,3-4H2/t5-/m1/s1.
What are the key properties of (5S)-1-azabicyclo[3.2.0]hept-3-en-7-one?
(5S)-1-azabicyclo[3.2.0]hept-3-en-7-one has a molecular weight of 109.13 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-azabicyclo[3.2.0]hept-3-en-7-one is sourced from PubChem (CID 70098994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).