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Home > Other Heterocycles > 887220-99-7
887220-99-7 | 3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CAS No: 887220-99-7 Catalog No: AG00IFCO MDL No:MFCD06751103
Product Description
Catalog Number:
AG00IFCO
Chemical Name:
3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CAS Number:
887220-99-7
Molecular Formula:
C14H17N3O
Molecular Weight:
243.3043
MDL Number:
MFCD06751103
IUPAC Name:
3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
InChI:
InChI=1S/C14H17N3O/c1-10-2-4-11(5-3-10)12-13(18)17-14(16-12)6-8-15-9-7-14/h2-5,15H,6-9H2,1H3,(H,17,18)
InChI Key:
YRANTLUSYKUPHY-UHFFFAOYSA-N
SMILES:
O=C1NC2(N=C1c1ccc(cc1)C)CCNCC2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.31g/mol
Monoisotopic Mass:
243.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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