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2072-58-4 | Butanamide, N-[(1R,7aS)-hexahydro-1H-pyrrolizin-1-yl]-2-methyl-, rel-(+)-
CAS No: 2072-58-4 Catalog No: AG002IW3 MDL No:
Product Description
Catalog Number:
AG002IW3
Chemical Name:
Butanamide, N-[(1R,7aS)-hexahydro-1H-pyrrolizin-1-yl]-2-methyl-, rel-(+)-
CAS Number:
2072-58-4
Molecular Formula:
C12H22N2O
Molecular Weight:
210.3159
IUPAC Name:
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)-2-methylbutanamide
InChI:
InChI=1S/C12H22N2O/c1-3-9(2)12(15)13-10-7-11-5-4-6-14(11)8-10/h9-11H,3-8H2,1-2H3,(H,13,15)
InChI Key:
MJBYAEXHDRDVDM-UHFFFAOYSA-N
SMILES:
CCC(C(=O)N[C@@H]1CCN2[C@H]1CCC2)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.321g/mol
Monoisotopic Mass:
210.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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