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5983-78-8 | 7a-(4-methoxyphenyl)-hexahydro-1H-pyrrolo[1,2-a]imidazolidin-5-one
CAS No: 5983-78-8 Catalog No: AG00JWE3 MDL No:MFCD08719361
Product Description
Catalog Number:
AG00JWE3
Chemical Name:
7a-(4-methoxyphenyl)-hexahydro-1H-pyrrolo[1,2-a]imidazolidin-5-one
CAS Number:
5983-78-8
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD08719361
IUPAC Name:
7a-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
InChI:
InChI=1S/C13H16N2O2/c1-17-11-4-2-10(3-5-11)13-7-6-12(16)15(13)9-8-14-13/h2-5,14H,6-9H2,1H3
InChI Key:
DMHFLDYXTHEEOA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C12NCCN2C(=O)CC1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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