10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one

C16H10Br2O2 — CID 102144651

IUPAC10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one
SMILESCc1cc(=O)oc2c(C=C(Br)Br)c3cccccc-3c12
InChIInChI=1S/C16H10Br2O2/c1-9-7-14(19)20-16-12(8-13(17)18)10-5-3-2-4-6-11(10)15(9)16/h2-8H,1H3
InChIKeyLYYWSIAUOTYHMH-UHFFFAOYSA-N
MW394.06 g/mol
LogP5.29
Rot. Bonds1

About 10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one

10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one (PubChem CID 102144651) has the molecular formula C16H10Br2O2 and a molecular weight of 394.06 g/mol. Its IUPAC name is 10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one.

Molecular Properties

Compound Name10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one
PubChem CID102144651
Molecular FormulaC16H10Br2O2
Molecular Weight394.06 g/mol
Exact Mass391.90
IUPAC Name10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one
SMILESCc1cc(=O)oc2c(C=C(Br)Br)c3cccccc-3c12
InChIInChI=1S/C16H10Br2O2/c1-9-7-14(19)20-16-12(8-13(17)18)10-5-3-2-4-6-11(10)15(9)16/h2-8H,1H3
InChIKeyLYYWSIAUOTYHMH-UHFFFAOYSA-N
XLogP5.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.06
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
5-bromo-4-methyl-6-phenylpyran-2-one
CID 121010886
20-hydroxy-18-methyl-12-(4-methylphenyl)-2,15-dioxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14(19),17,20-octaene-10,16-dione
CID 164576357
[5-methyl-4-(2-methylphenyl)-2-oxochromen-7-yl] trifluoromethanesulfonate
CID 167499129
2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one
CID 707839
4-[(2S,3R)-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl]-5,7,8-trimethylchromen-2-one
CID 908018
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
7-hydroxy-4,5-dimethyl-8-prop-2-enylchromen-2-one
CID 12900448
6-ethyl-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 102598102
4-methyl-8-phenoxychromen-2-one
CID 86228952
1-benzoyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 14386557
N,N,2-trimethyl-3-[4-(2-methylphenyl)-2-oxochromen-7-yl]prop-2-enamide
CID 167499207

Frequently Asked Questions

What is the IUPAC name of 10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one?
The IUPAC name of 10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one (CID 102144651) is 10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one.
What is the SMILES notation for 10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one?
The canonical SMILES for 10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one is Cc1cc(=O)oc2c(C=C(Br)Br)c3cccccc-3c12.
What is the InChIKey of 10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one?
The InChIKey is LYYWSIAUOTYHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2O2/c1-9-7-14(19)20-16-12(8-13(17)18)10-5-3-2-4-6-11(10)15(9)16/h2-8H,1H3.
What are the key properties of 10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one?
10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one has a molecular weight of 394.06 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-dibromoethenyl)-4-methylazuleno[2,1-b]pyran-2-one is sourced from PubChem (CID 102144651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).