2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H29NO7 — CID 78255296

IUPAC2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2C3=C(OC4CCC(C)CC4C3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC
InChIInChI=1S/C26H29NO7/c1-14-7-8-18-17(10-14)23(28)21-22(15-11-19(30-2)24(32-4)20(12-15)31-3)27(26(29)25(21)34-18)13-16-6-5-9-33-16/h5-6,9,11-12,14,17-18,22H,7-8,10,13H2,1-4H3
InChIKeyRKHGQWWLULZPGR-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.05
Rot. Bonds6

About 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 78255296) has the molecular formula C26H29NO7 and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID78255296
Molecular FormulaC26H29NO7
Molecular Weight467.52 g/mol
Exact Mass467.19
IUPAC Name2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2C3=C(OC4CCC(C)CC4C3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC
InChIInChI=1S/C26H29NO7/c1-14-7-8-18-17(10-14)23(28)21-22(15-11-19(30-2)24(32-4)20(12-15)31-3)27(26(29)25(21)34-18)13-16-6-5-9-33-16/h5-6,9,11-12,14,17-18,22H,7-8,10,13H2,1-4H3
InChIKeyRKHGQWWLULZPGR-UHFFFAOYSA-N
XLogP4.05
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-(furan-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74722427
2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255548
2-(furan-2-ylmethyl)-1-(4-hydroxyphenyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78256111
2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254481
1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73262113
1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78256686
1-(4-hydroxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261592
2-[(4-fluorophenyl)methyl]-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261505
2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255480
2-(furan-2-ylmethyl)-6,7-dimethyl-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255444
7-bromo-2-(furan-2-ylmethyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254578
7-fluoro-2-(furan-2-ylmethyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78330891

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 78255296) is 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2C3=C(OC4CCC(C)CC4C3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC.
What is the InChIKey of 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RKHGQWWLULZPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO7/c1-14-7-8-18-17(10-14)23(28)21-22(15-11-19(30-2)24(32-4)20(12-15)31-3)27(26(29)25(21)34-18)13-16-6-5-9-33-16/h5-6,9,11-12,14,17-18,22H,7-8,10,13H2,1-4H3.
What are the key properties of 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 467.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-7-methyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 78255296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).