Name: Name:1-(3,4-dihydro-1H-2-benzopyran-1-carbonyl)pyrrolidine
Brand: Angene
SKU: AG01A2R5
Rating: 90 (10 reviews)

1-(3,4-dihydro-1H-2-benzopyran-1-carbonyl)pyrrolidine

CAS No.:

896938-09-3

Catalog Number:

AG01A2R5

Molecular Formula:

C14H17NO2

Molecular Weight:

231.2903

Catalog Number:

AG01A2R5

Chemical Name:

1-(3,4-dihydro-1H-2-benzopyran-1-carbonyl)pyrrolidine

CAS Number:

896938-09-3

Molecular Formula:

C14H17NO2

Molecular Weight:

231.2903

MDL Number:

MFCD21415906

IUPAC Name:

3,4-dihydro-1H-isochromen-1-yl(pyrrolidin-1-yl)methanone

InChI:

InChI=1S/C14H17NO2/c16-14(15-8-3-4-9-15)13-12-6-2-1-5-11(12)7-10-17-13/h1-2,5-6,13H,3-4,7-10H2

InChI Key:

KECQQKZGBMJNNQ-UHFFFAOYSA-N

SMILES:

O=C(C1OCCc2c1cccc2)N1CCCC1

Complexity:

286

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.295g/mol

Monoisotopic Mass:

231.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8