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

C10H15NO — CID 54361453

IUPAC(4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCC1=C(C)N2C(=O)C(C)C2[C@H]1C
InChIInChI=1S/C10H15NO/c1-5-6(2)9-7(3)10(12)11(9)8(5)4/h6-7,9H,1-4H3/t6-,7?,9?/m0/s1
InChIKeyUMUDYDWZDJOWKS-PTNSZRNDSA-N
MW165.24 g/mol
LogP1.78
Rot. Bonds

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

(4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 54361453) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name(4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID54361453
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCC1=C(C)N2C(=O)C(C)C2[C@H]1C
InChIInChI=1S/C10H15NO/c1-5-6(2)9-7(3)10(12)11(9)8(5)4/h6-7,9H,1-4H3/t6-,7?,9?/m0/s1
InChIKeyUMUDYDWZDJOWKS-PTNSZRNDSA-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 (4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of (4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 54361453) is (4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for (4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for (4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one is CC1=C(C)N2C(=O)C(C)C2[C@H]1C.
What is the InChIKey of (4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is UMUDYDWZDJOWKS-PTNSZRNDSA-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/t6-,7?,9?/m0/s1.
What are the key properties of (4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one?
(4S)-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 (4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 54361453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).