(1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one

C6H7NO — CID 134922029

IUPAC(1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one
SMILESO=C1C[C@H]2CN=C[C@@H]12
InChIInChI=1S/C6H7NO/c8-6-1-4-2-7-3-5(4)6/h3-5H,1-2H2/t4-,5+/m0/s1
InChIKeyGOAHFGSHKNAQMM-CRCLSJGQSA-N
MW109.13 g/mol
LogP0.28
Rot. Bonds

About (1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one

(1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one (PubChem CID 134922029) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is (1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one.

Molecular Properties

Compound Name(1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one
PubChem CID134922029
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name(1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one
SMILESO=C1C[C@H]2CN=C[C@@H]12
InChIInChI=1S/C6H7NO/c8-6-1-4-2-7-3-5(4)6/h3-5H,1-2H2/t4-,5+/m0/s1
InChIKeyGOAHFGSHKNAQMM-CRCLSJGQSA-N
XLogP0.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one?
The IUPAC name of (1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one (CID 134922029) is (1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one.
What is the SMILES notation for (1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one?
The canonical SMILES for (1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one is O=C1C[C@H]2CN=C[C@@H]12.
What is the InChIKey of (1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one?
The InChIKey is GOAHFGSHKNAQMM-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H7NO/c8-6-1-4-2-7-3-5(4)6/h3-5H,1-2H2/t4-,5+/m0/s1.
What are the key properties of (1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one?
(1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one has a molecular weight of 109.13 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-azabicyclo[3.2.0]hept-3-en-6-one is sourced from PubChem (CID 134922029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).