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

C12H21NO — CID 142107260

IUPACethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one
SMILESCC.CC1=C2N(C(=O)C1)C(C)C2(C)C
InChIInChI=1S/C10H15NO.C2H6/c1-6-5-8(12)11-7(2)10(3,4)9(6)11;1-2/h7H,5H2,1-4H3;1-2H3
InChIKeyKERKCGQIZIIGLP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds

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

ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one (PubChem CID 142107260) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one.

Molecular Properties

Compound Nameethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one
PubChem CID142107260
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one
SMILESCC.CC1=C2N(C(=O)C1)C(C)C2(C)C
InChIInChI=1S/C10H15NO.C2H6/c1-6-5-8(12)11-7(2)10(3,4)9(6)11;1-2/h7H,5H2,1-4H3;1-2H3
InChIKeyKERKCGQIZIIGLP-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one?
The IUPAC name of ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one (CID 142107260) is ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one.
What is the SMILES notation for ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one?
The canonical SMILES for ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one is CC.CC1=C2N(C(=O)C1)C(C)C2(C)C.
What is the InChIKey of ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one?
The InChIKey is KERKCGQIZIIGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-6-5-8(12)11-7(2)10(3,4)9(6)11;1-2/h7H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one?
ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,6,6,7-tetramethyl-1-azabicyclo[3.2.0]hept-4-en-2-one is sourced from PubChem (CID 142107260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).