Home Other Building Blocks 3,3-dimethyl-4-(1-methyl-1H-pyrazol-4-yl)azetidin-2-one

3,3-dimethyl-4-(1-methyl-1H-pyrazol-4-yl)azetidin-2-one

CAS No.:
1803599-52-1
Catalog Number:
AG01BBAA
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
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Product Description
Catalog Number:
AG01BBAA
Chemical Name:
3,3-dimethyl-4-(1-methyl-1H-pyrazol-4-yl)azetidin-2-one
CAS Number:
1803599-52-1
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD28505932
IUPAC Name:
3,3-dimethyl-4-(1-methylpyrazol-4-yl)azetidin-2-one
InChI:
InChI=1S/C9H13N3O/c1-9(2)7(11-8(9)13)6-4-10-12(3)5-6/h4-5,7H,1-3H3,(H,11,13)
InChI Key:
NVVRKWUFHLLNGV-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C1NC(=O)C1(C)C
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties