Home Other Building Blocks 3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one

3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one

CAS No.:
27545-05-7
Catalog Number:
AG01A4B1
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG01A4B1
Chemical Name:
3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one
CAS Number:
27545-05-7
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD20672180
IUPAC Name:
3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
InChI:
InChI=1S/C10H12N2O/c1-7-6-11-9-5-3-2-4-8(9)10(13)12-7/h2-5,7,11H,6H2,1H3,(H,12,13)
InChI Key:
XOMCUECONFZUOE-UHFFFAOYSA-N
SMILES:
CC1CNc2c(C(=O)N1)cccc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties