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1676-50-2 | 2H-Azepin-2-one, 1,3-dihydro-3,5,7-trimethyl-1-[2-(1-pyrrolidinyl)propyl]-
CAS No: 1676-50-2 Catalog No: AG001XH4 MDL No:
Product Description
Catalog Number:
AG001XH4
Chemical Name:
2H-Azepin-2-one, 1,3-dihydro-3,5,7-trimethyl-1-[2-(1-pyrrolidinyl)propyl]-
CAS Number:
1676-50-2
Molecular Formula:
C16H26N2O
Molecular Weight:
262.3904
IUPAC Name:
3,5,7-trimethyl-1-(2-pyrrolidin-1-ylpropyl)-3H-azepin-2-one
InChI:
InChI=1S/C16H26N2O/c1-12-9-13(2)16(19)18(14(3)10-12)11-15(4)17-7-5-6-8-17/h9-10,13,15H,5-8,11H2,1-4H3
InChI Key:
SJFGMTIVTZSZIV-UHFFFAOYSA-N
SMILES:
CC1=CC(C)C(=O)N(C(=C1)C)CC(N1CCCC1)C
NSC Number:
135363
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.205g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.397g/mol
Monoisotopic Mass:
262.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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