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Home > Imidazoles > 2044835-10-9
2044835-10-9 | 4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-3,3-dimethylazetidin-2-one
CAS No: 2044835-10-9 Catalog No: AG01BXG7 MDL No:MFCD30487507
Product Description
Catalog Number:
AG01BXG7
Chemical Name:
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-3,3-dimethylazetidin-2-one
CAS Number:
2044835-10-9
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD30487507
IUPAC Name:
4-[1-(cyclopropylmethyl)imidazol-2-yl]-3,3-dimethylazetidin-2-one
InChI:
InChI=1S/C12H17N3O/c1-12(2)9(14-11(12)16)10-13-5-6-15(10)7-8-3-4-8/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)
InChI Key:
KVXZYVSSXOSCHQ-UHFFFAOYSA-N
SMILES:
O=C1NC(C1(C)C)c1nccn1CC1CC1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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