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Home > Other Heterocycles > 100465-38-1
100465-38-1 | 2-Azabicyclo[2.2.0]hex-5-en-3-one, 5-(1,1-dimethylethyl)-2-methyl-
CAS No: 100465-38-1 Catalog No: AG000228 MDL No:
Product Description
Catalog Number:
AG000228
Chemical Name:
2-Azabicyclo[2.2.0]hex-5-en-3-one, 5-(1,1-dimethylethyl)-2-methyl-
CAS Number:
100465-38-1
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
5-tert-butyl-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one
InChI:
InChI=1S/C10H15NO/c1-10(2,3)6-5-7-8(6)9(12)11(7)4/h5,7-8H,1-4H3
InChI Key:
ANYRZMSTHBJZEY-UHFFFAOYSA-N
SMILES:
O=C1N(C)C2C1C(=C2)C(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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