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21603-77-0 | 5H-Pyrrolo[1,2-a]imidazol-5-one, hexahydro-7a-methyl-
CAS No: 21603-77-0 Catalog No: AG00I470 MDL No:MFCD06011095
Product Description
Catalog Number:
AG00I470
Chemical Name:
5H-Pyrrolo[1,2-a]imidazol-5-one, hexahydro-7a-methyl-
CAS Number:
21603-77-0
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD06011095
IUPAC Name:
7a-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
InChI:
InChI=1S/C7H12N2O/c1-7-3-2-6(10)9(7)5-4-8-7/h8H,2-5H2,1H3
InChI Key:
MMWGHXITWAALJO-UHFFFAOYSA-N
SMILES:
O=C1CCC2(N1CCN2)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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