1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione

C19H29NO3 — CID 71427288

IUPAC1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione
SMILESCCCCCCC1=C2C(=O)N(C)C(CCCCCC)=C2C(=O)O1
InChIInChI=1S/C19H29NO3/c1-4-6-8-10-12-14-16-17(18(21)20(14)3)15(23-19(16)22)13-11-9-7-5-2/h4-13H2,1-3H3
InChIKeyFRCPDZFYVBXTAR-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.46
Rot. Bonds10

About 1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione

1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione (PubChem CID 71427288) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione
PubChem CID71427288
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione
SMILESCCCCCCC1=C2C(=O)N(C)C(CCCCCC)=C2C(=O)O1
InChIInChI=1S/C19H29NO3/c1-4-6-8-10-12-14-16-17(18(21)20(14)3)15(23-19(16)22)13-11-9-7-5-2/h4-13H2,1-3H3
InChIKeyFRCPDZFYVBXTAR-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-heptyloxirene-2-carbaldehyde
CID 87090104
3,4-bis(5-dodecylthiophen-2-yl)furan-2,5-dione
CID 122398344
3-methyl-4-octylfuran-2,5-dione
CID 71750494
3-hexylfuran-2,5-dione
CID 15882442
3-tetradecylfuran-2,5-dione
CID 10565758
3-hexyl-4-(2-hydroxytridecyl)oxet-2-one
CID 57092087
1,3-di(nonyl)-2-sulfanylideneimidazolidine-4,5-dione
CID 86042551
3,3,4,5-tetrakis-decylfuran-2-one
CID 68538040
(3E)-6-(5-dodecylthiophen-2-yl)-3-[6-(5-dodecylthiophen-2-yl)-1-methyl-2-oxoindol-3-ylidene]-1-methylindol-2-one
CID 59584062
2,5-dimethyl-4-octyl-1,2-oxazol-3-one
CID 10105083
4-hexyl-1-methyl-5-sulfanylidenepyrrol-2-one
CID 141292545
(2S)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 14188599

Frequently Asked Questions

What is the IUPAC name of 1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione (CID 71427288) is 1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione is CCCCCCC1=C2C(=O)N(C)C(CCCCCC)=C2C(=O)O1.
What is the InChIKey of 1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione?
The InChIKey is FRCPDZFYVBXTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-6-8-10-12-14-16-17(18(21)20(14)3)15(23-19(16)22)13-11-9-7-5-2/h4-13H2,1-3H3.
What are the key properties of 1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione?
1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione has a molecular weight of 319.45 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihexyl-5-methylfuro[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 71427288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).