5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione

C14H19NO3 — CID 102293952

IUPAC5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione
SMILESCCCCC(CC)CN1C(=O)c2cocc2C1=O
InChIInChI=1S/C14H19NO3/c1-3-5-6-10(4-2)7-15-13(16)11-8-18-9-12(11)14(15)17/h8-10H,3-7H2,1-2H3
InChIKeyZXSRGLVZWVGGMM-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.09
Rot. Bonds6

About 5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione

5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione (PubChem CID 102293952) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione
PubChem CID102293952
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione
SMILESCCCCC(CC)CN1C(=O)c2cocc2C1=O
InChIInChI=1S/C14H19NO3/c1-3-5-6-10(4-2)7-15-13(16)11-8-18-9-12(11)14(15)17/h8-10H,3-7H2,1-2H3
InChIKeyZXSRGLVZWVGGMM-UHFFFAOYSA-N
XLogP3.09
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
2-(2-ethylhexyl)-6,7-dimethylbenzo[de]isoquinoline-1,3-dione
CID 157287985
7,22-bis(2-ethylhexyl)-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 58212311
11,14,22,26-tetrachloro-7,18-bis(2-ethylhexyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
CID 59194256
6-(2-ethylhexyl)-13-[3-[13-(2-ethylhexyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 132938430
5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one
CID 90360336
2,3,9,10-tetrabromo-6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 70653710
6-(2-ethylhexyl)-13-(2-methylbutyl)-7,14-bis(sulfanylidene)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,12-dione;6-(2-ethylhexyl)-13-(2-methylbutyl)-14-sulfanylidene-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12-trione
CID 123611859
2-(2-ethylhexyl)-6-sulfanylbenzo[de]isoquinoline-1,3-dione
CID 126632900
7,18-bis(2-ethylhexyl)-11,22-diphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 122395305
2-[13-(2-ethylhexyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]benzoic acid
CID 102432935
2-(2-ethylhexyl)-6-(2-ethylhexylamino)benzo[de]isoquinoline-1,3-dione
CID 54531572

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione (CID 102293952) is 5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione is CCCCC(CC)CN1C(=O)c2cocc2C1=O.
What is the InChIKey of 5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione?
The InChIKey is ZXSRGLVZWVGGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-5-6-10(4-2)7-15-13(16)11-8-18-9-12(11)14(15)17/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione?
5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione has a molecular weight of 249.31 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 102293952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).