200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100501-54-0
100501-54-0 | Pyrrolo[1,2-a]pyrazin-1(2H)-one, hexahydro-, (R)- (9CI)
CAS No: 100501-54-0 Catalog No: AG000268 MDL No:
Product Description
Catalog Number:
AG000268
Chemical Name:
Pyrrolo[1,2-a]pyrazin-1(2H)-one, hexahydro-, (R)- (9CI)
CAS Number:
100501-54-0
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
IUPAC Name:
(8aS)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
InChI:
InChI=1S/C7H12N2O/c10-7-6-2-1-4-9(6)5-3-8-7/h6H,1-5H2,(H,8,10)/t6-/m0/s1
InChI Key:
JBIHMFNMKHDTEE-LURJTMIESA-N
SMILES:
O=C1NCCN2[C@@H]1CCC2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.