2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one

C10H15NO — CID 58612603

IUPAC2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCC1=C(C)N2C(=O)C(C)C2C1C
InChIInChI=1S/C10H15NO/c1-5-6(2)9-7(3)10(12)11(9)8(5)4/h6-7,9H,1-4H3
InChIKeyUMUDYDWZDJOWKS-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.78
Rot. Bonds

About 2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one

2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 58612603) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID58612603
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCC1=C(C)N2C(=O)C(C)C2C1C
InChIInChI=1S/C10H15NO/c1-5-6(2)9-7(3)10(12)11(9)8(5)4/h6-7,9H,1-4H3
InChIKeyUMUDYDWZDJOWKS-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of 2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 58612603) is 2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for 2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for 2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one is CC1=C(C)N2C(=O)C(C)C2C1C.
What is the InChIKey of 2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is UMUDYDWZDJOWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-6(2)9-7(3)10(12)11(9)8(5)4/h6-7,9H,1-4H3.
What are the key properties of 2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 165.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 58612603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).