Home Other Building Blocks 2,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrrole

2,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrrole

CAS No.:
54609-19-7
Catalog Number:
AG01A9UU
Molecular Formula:
C9H11N
Molecular Weight:
133.1903
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Product Description
Catalog Number:
AG01A9UU
Chemical Name:
2,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrrole
CAS Number:
54609-19-7
Molecular Formula:
C9H11N
Molecular Weight:
133.1903
MDL Number:
MFCD12090927
IUPAC Name:
2,5-dimethyl-1-prop-2-ynylpyrrole
InChI:
InChI=1S/C9H11N/c1-4-7-10-8(2)5-6-9(10)3/h1,5-6H,7H2,2-3H3
InChI Key:
AJIBIWLTIDNRGY-UHFFFAOYSA-N
SMILES:
C#CCn1c(C)ccc1C
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.089g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.194g/mol
Monoisotopic Mass:
133.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties