Name: Name:5-[(3,4-DIMETHOXYPHENYL)METHYL]PYRROLIDIN-2-ONE
Brand: Angene
SKU: AG01ELQF
Rating: 90 (10 reviews)

5-[(3,4-DIMETHOXYPHENYL)METHYL]PYRROLIDIN-2-ONE

CAS No.:

1913889-32-3

Catalog Number:

AG01ELQF

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

Catalog Number:

AG01ELQF

Chemical Name:

5-[(3,4-DIMETHOXYPHENYL)METHYL]PYRROLIDIN-2-ONE

CAS Number:

1913889-32-3

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

MDL Number:

MFCD26515024

IUPAC Name:

5-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one

InChI:

InChI=1S/C13H17NO3/c1-16-11-5-3-9(8-12(11)17-2)7-10-4-6-13(15)14-10/h3,5,8,10H,4,6-7H2,1-2H3,(H,14,15)

InChI Key:

NZBJHLOPKOTCQE-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)CC1CCC(=O)N1

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.283g/mol

Monoisotopic Mass:

235.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6