3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione

C24H24N2O2 — CID 71218869

IUPAC3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione
SMILESCN1C(=O)C(C2CCCCC2)=C2C1=C(c1cccc3ccccc13)C(=O)N2C
InChIInChI=1S/C24H24N2O2/c1-25-21-19(16-10-4-3-5-11-16)23(27)26(2)22(21)20(24(25)28)18-14-8-12-15-9-6-7-13-17(15)18/h6-9,12-14,16H,3-5,10-11H2,1-2H3
InChIKeyAEXKFSWVFXLTIR-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.33
Rot. Bonds2

About 3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione

3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione (PubChem CID 71218869) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione
PubChem CID71218869
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione
SMILESCN1C(=O)C(C2CCCCC2)=C2C1=C(c1cccc3ccccc13)C(=O)N2C
InChIInChI=1S/C24H24N2O2/c1-25-21-19(16-10-4-3-5-11-16)23(27)26(2)22(21)20(24(25)28)18-14-8-12-15-9-6-7-13-17(15)18/h6-9,12-14,16H,3-5,10-11H2,1-2H3
InChIKeyAEXKFSWVFXLTIR-UHFFFAOYSA-N
XLogP4.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione?
The IUPAC name of 3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione (CID 71218869) is 3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione is CN1C(=O)C(C2CCCCC2)=C2C1=C(c1cccc3ccccc13)C(=O)N2C.
What is the InChIKey of 3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione?
The InChIKey is AEXKFSWVFXLTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-25-21-19(16-10-4-3-5-11-16)23(27)26(2)22(21)20(24(25)28)18-14-8-12-15-9-6-7-13-17(15)18/h6-9,12-14,16H,3-5,10-11H2,1-2H3.
What are the key properties of 3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione?
3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione has a molecular weight of 372.47 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,4-dimethyl-6-naphthalen-1-ylpyrrolo[3,2-b]pyrrole-2,5-dione is sourced from PubChem (CID 71218869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).