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Compound FL0184

CAT: 0931-FL0184-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0184-03Size:10 mg
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CAS Number
1440519-80-1
Bioactivity
Compound FL0184, with CAS No. 1440519-80-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0184 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
COc1ccc2C(=O)NC(C)(C)c2n1
Molecular Formula
C10H12N2O2
Molecular Weight
192.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Methoxy-7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one
CAS Number1440519-80-1
PubChem CID71743833
IUPAC Name2-methoxy-7,7-dimethyl-6H-pyrrolo[3,4-b]pyridin-5-one
Molecular FormulaC10H12N2O2
Molecular Weight192.21
XLogP0.6
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity253
SMILES
CC1(C2=C(C=CC(=N2)OC)C(=O)N1)C
InChI
InChI=1S/C10H12N2O2/c1-10(2)8-6(9(13)12-10)4-5-7(11-8)14-3/h4-5H,1-3H3,(H,12,13)
InChIKey
PZWRYLXDGPTZTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one
CAS: 1440519-80-1
CID: 71743833
Formula: C10H12N2O2
MW: 192.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.21
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass192.089877630
Monoisotopic Mass192.089877630
Topological Polar Surface Area51.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity253
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FL0185-01Compound FL0185
FL0183-01Compound FL0183
FL0174-01Compound FL0174
FL0148-01Compound FL0148
FL0154-01Compound FL0154
FL0218-01Compound FL0218
FL0158-01Compound FL0158
FL0121-01Compound FL0121
FL0115-01Compound FL0115
FL0280-01Compound FL0280

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