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Home > Other Heterocycles > 76599-91-2
76599-91-2 | 2,6-Diazabicyclo[2.2.0]hex-5-en-3-one, 1,2,5-trimethyl-
CAS No: 76599-91-2 Catalog No: AG005JAS MDL No:
Product Description
Catalog Number:
AG005JAS
Chemical Name:
2,6-Diazabicyclo[2.2.0]hex-5-en-3-one, 1,2,5-trimethyl-
CAS Number:
76599-91-2
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
IUPAC Name:
1,2,5-trimethyl-2,6-diazabicyclo[2.2.0]hex-5-en-3-one
InChI:
InChI=1S/C7H10N2O/c1-4-5-6(10)9(3)7(5,2)8-4/h5H,1-3H3
InChI Key:
RMKTUCAJQULHIR-UHFFFAOYSA-N
SMILES:
CC1=NC2(C1C(=O)N2C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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