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1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone

1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone

CAS: 949922-27-4

Formula: C11H13NO

SMILES: CC(=O)C1=CC2=C(CNCC2)C=C1

IUPAC: 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethan-1-one

InChI: InChI=1S/C11H13NO/c1-8(13)9-2-3-11-7-12-5-4-10(11)6-9/h2-3,6,12H,4-5,7H2,1H3

Composition: C (75.40%), H (7.48%), N (7.99%), O (9.13%)

Molar Mass: 175.231

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 175.099714043
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WHFXFTCWKXJMBK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.02
Topological Polar Surface Area 29.1
Polarizability 20.31
Ring Count 2
Rotatable Bond Count 1

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