Coumarin 334

C₁₇H₁₇NO₃CAS 55804-67-6283.33 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₇H₁₇NO₃
Molar mass: 283.33 g/mol
Exact mass: 283.1208 Da
Melting point: 181–182 °C
logP: 2.69Crippen estimate
Polar surface area: 50.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

55804-67-6

SMILES

CC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3

InChIKey

JBPCDMSEJVCNGV-UHFFFAOYSA-N

InChI

InChI=1S/C17H17NO3/c1-10(19)14-9-12-8-11-4-2-6-18-7-3-5-13(15(11)18)16(12)21-17(14)20/h8-9H,2-7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 10-acetyl-2,3,6,7-tetrahydro-
10-Acetyl-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
Coumarin 521
C 334
NSC 369287
CM 334
10-Acetyl-2,3,6,7-tetrahydro-1H,5H,11H-1-benzopyrano[6,7,8-ij]quinolizin-11-one
10-Acetyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one
10-Acetyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one

Work with Coumarin 334

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Coumarin 34355804-65-473 % similar 2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one41175-45-555 % similar 3-Acetylcoumarin3949-36-842 % similar Coumarin 15353518-18-641 % similar Armillarisin A53696-74-535 % similar 6-Acetyltetralin774-55-035 % similar 8-Hydroxyjulolidine-9-carboxaldehyde63149-33-734 % similar 8-Hydroxyjulolidine41175-50-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(9H-Fluoren-9-yl)methyl N-(2-hydroxyethyl)carbamate105496-31-9 Paprazine36417-86-4

Elsewhere

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