3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione

C96H117N9O21 — CID 159475803

IUPAC3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione
SMILESCC(C)c1cc2c(cn1)OC(=O)C(C(C)C)C2=O.CC(C)c1cc2c(nn1)OC(=O)C(C(C)C)C2=O.CC(C)c1ccc2c(c1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1ccc2c(n1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1cnc2c(c1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1cnc2c(n1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1ncc2c(n1)C(=O)C(C(C)C)C(=O)O2
InChIInChI=1S/C15H18O3.3C14H17NO3.3C13H16N2O3/c1-8(2)10-5-6-12-11(7-10)14(16)13(9(3)4)15(17)18-12;1-7(2)10-5-9-11(6-15-10)18-14(17)12(8(3)4)13(9)16;1-7(2)9-5-10-12(16)11(8(3)4)14(17)18-13(10)15-6-9;1-7(2)9-5-6-10-12(15-9)13(16)11(8(3)4)14(17)18-10;1-6(2)9-11(16)10-8(18-13(9)17)5-14-12(15-10)7(3)4;1-6(2)9-5-8-11(16)10(7(3)4)13(17)18-12(8)15-14-9;1-6(2)8-5-14-12-10(15-8)11(16)9(7(3)4)13(17)18-12/h5-9,13H,1-4H3;5-8,12H,1-4H3;2*5-8,11H,1-4H3;5-7,9H,1-4H3;5-7,10H,1-4H3;5-7,9H,1-4H3
InChIKeyLWJDIXRBYJZDHU-UHFFFAOYSA-N
MW1733.03 g/mol
LogP16.84
Rot. Bonds14

About 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione

3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione (PubChem CID 159475803) has the molecular formula C96H117N9O21 and a molecular weight of 1733.03 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione.

Molecular Properties

Compound Name3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione
PubChem CID159475803
Molecular FormulaC96H117N9O21
Molecular Weight1733.03 g/mol
Exact Mass1731.84
IUPAC Name3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione
SMILESCC(C)c1cc2c(cn1)OC(=O)C(C(C)C)C2=O.CC(C)c1cc2c(nn1)OC(=O)C(C(C)C)C2=O.CC(C)c1ccc2c(c1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1ccc2c(n1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1cnc2c(c1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1cnc2c(n1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1ncc2c(n1)C(=O)C(C(C)C)C(=O)O2
InChIInChI=1S/C15H18O3.3C14H17NO3.3C13H16N2O3/c1-8(2)10-5-6-12-11(7-10)14(16)13(9(3)4)15(17)18-12;1-7(2)10-5-9-11(6-15-10)18-14(17)12(8(3)4)13(9)16;1-7(2)9-5-10-12(16)11(8(3)4)14(17)18-13(10)15-6-9;1-7(2)9-5-6-10-12(15-9)13(16)11(8(3)4)14(17)18-10;1-6(2)9-11(16)10-8(18-13(9)17)5-14-12(15-10)7(3)4;1-6(2)9-5-8-11(16)10(7(3)4)13(17)18-12(8)15-14-9;1-6(2)8-5-14-12-10(15-8)11(16)9(7(3)4)13(17)18-12/h5-9,13H,1-4H3;5-8,12H,1-4H3;2*5-8,11H,1-4H3;5-7,9H,1-4H3;5-7,10H,1-4H3;5-7,9H,1-4H3
InChIKeyLWJDIXRBYJZDHU-UHFFFAOYSA-N
XLogP16.84
TPSA419.60 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.03
LogP ≤ 516.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione?
The IUPAC name of 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione (CID 159475803) is 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione.
What is the SMILES notation for 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione?
The canonical SMILES for 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione is CC(C)c1cc2c(cn1)OC(=O)C(C(C)C)C2=O.CC(C)c1cc2c(nn1)OC(=O)C(C(C)C)C2=O.CC(C)c1ccc2c(c1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1ccc2c(n1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1cnc2c(c1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1cnc2c(n1)C(=O)C(C(C)C)C(=O)O2.CC(C)c1ncc2c(n1)C(=O)C(C(C)C)C(=O)O2.
What is the InChIKey of 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione?
The InChIKey is LWJDIXRBYJZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3.3C14H17NO3.3C13H16N2O3/c1-8(2)10-5-6-12-11(7-10)14(16)13(9(3)4)15(17)18-12;1-7(2)10-5-9-11(6-15-10)18-14(17)12(8(3)4)13(9)16;1-7(2)9-5-10-12(16)11(8(3)4)14(17)18-13(10)15-6-9;1-7(2)9-5-6-10-12(15-9)13(16)11(8(3)4)14(17)18-10;1-6(2)9-11(16)10-8(18-13(9)17)5-14-12(15-10)7(3)4;1-6(2)9-5-8-11(16)10(7(3)4)13(17)18-12(8)15-14-9;1-6(2)8-5-14-12-10(15-8)11(16)9(7(3)4)13(17)18-12/h5-9,13H,1-4H3;5-8,12H,1-4H3;2*5-8,11H,1-4H3;5-7,9H,1-4H3;5-7,10H,1-4H3;5-7,9H,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione?
3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione has a molecular weight of 1733.03 g/mol, XLogP of 16.84, 14 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)chromene-2,4-dione;2,7-di(propan-2-yl)pyrano[2,3-b]pyrazine-6,8-dione;3,6-di(propan-2-yl)pyrano[2,3-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[3,2-b]pyridine-2,4-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridazine-5,7-dione;3,6-di(propan-2-yl)pyrano[2,3-c]pyridine-2,4-dione;2,7-di(propan-2-yl)pyrano[3,2-d]pyrimidine-6,8-dione is sourced from PubChem (CID 159475803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).