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

C24H25NO5 — CID 78247901

IUPAC2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC1CC(C)C2OC3=C(C(=O)C2C1)C(c1cccc(O)c1)N(Cc1ccco1)C3=O
InChIInChI=1S/C24H25NO5/c1-13-9-14(2)22-18(10-13)21(27)19-20(15-5-3-6-16(26)11-15)25(24(28)23(19)30-22)12-17-7-4-8-29-17/h3-8,11,13-14,18,20,22,26H,9-10,12H2,1-2H3
InChIKeyXVUXPOJJPKKMTQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.97
Rot. Bonds3

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

2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 78247901) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID78247901
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC1CC(C)C2OC3=C(C(=O)C2C1)C(c1cccc(O)c1)N(Cc1ccco1)C3=O
InChIInChI=1S/C24H25NO5/c1-13-9-14(2)22-18(10-13)21(27)19-20(15-5-3-6-16(26)11-15)25(24(28)23(19)30-22)12-17-7-4-8-29-17/h3-8,11,13-14,18,20,22,26H,9-10,12H2,1-2H3
InChIKeyXVUXPOJJPKKMTQ-UHFFFAOYSA-N
XLogP3.97
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 78247901) is 2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-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)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC1CC(C)C2OC3=C(C(=O)C2C1)C(c1cccc(O)c1)N(Cc1ccco1)C3=O.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XVUXPOJJPKKMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-13-9-14(2)22-18(10-13)21(27)19-20(15-5-3-6-16(26)11-15)25(24(28)23(19)30-22)12-17-7-4-8-29-17/h3-8,11,13-14,18,20,22,26H,9-10,12H2,1-2H3.
What are the key properties of 2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 407.47 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-(3-hydroxyphenyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 78247901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).