8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione

C18H18BrNO4 — CID 102189108

IUPAC8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione
SMILESCC1(O)c2c(c3cc(Br)ccc3oc2=O)C(=O)N1C1CCCCC1
InChIInChI=1S/C18H18BrNO4/c1-18(23)15-14(16(21)20(18)11-5-3-2-4-6-11)12-9-10(19)7-8-13(12)24-17(15)22/h7-9,11,23H,2-6H2,1H3
InChIKeyUMOIFDLOAYPSFU-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.51
Rot. Bonds1

About 8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione

8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione (PubChem CID 102189108) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is 8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione.

Molecular Properties

Compound Name8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione
PubChem CID102189108
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Name8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione
SMILESCC1(O)c2c(c3cc(Br)ccc3oc2=O)C(=O)N1C1CCCCC1
InChIInChI=1S/C18H18BrNO4/c1-18(23)15-14(16(21)20(18)11-5-3-2-4-6-11)12-9-10(19)7-8-13(12)24-17(15)22/h7-9,11,23H,2-6H2,1H3
InChIKeyUMOIFDLOAYPSFU-UHFFFAOYSA-N
XLogP3.51
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione?
The IUPAC name of 8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione (CID 102189108) is 8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione.
What is the SMILES notation for 8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione?
The canonical SMILES for 8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione is CC1(O)c2c(c3cc(Br)ccc3oc2=O)C(=O)N1C1CCCCC1.
What is the InChIKey of 8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione?
The InChIKey is UMOIFDLOAYPSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-18(23)15-14(16(21)20(18)11-5-3-2-4-6-11)12-9-10(19)7-8-13(12)24-17(15)22/h7-9,11,23H,2-6H2,1H3.
What are the key properties of 8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione?
8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione has a molecular weight of 392.25 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-cyclohexyl-3-hydroxy-3-methylchromeno[3,4-c]pyrrole-1,4-dione is sourced from PubChem (CID 102189108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).