(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H21NO5 — CID 2013912

IUPAC(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)c1
InChIInChI=1S/C25H21NO5/c1-14-10-19-20(11-15(14)2)31-24-21(23(19)27)22(16-6-4-7-17(12-16)29-3)26(25(24)28)13-18-8-5-9-30-18/h4-12,22H,13H2,1-3H3/t22-/m1/s1
InChIKeyPPXPAVHLJANHNA-JOCHJYFZSA-N
MW415.45 g/mol
LogP4.76
Rot. Bonds4

About (1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2013912) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is (1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2013912
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)c1
InChIInChI=1S/C25H21NO5/c1-14-10-19-20(11-15(14)2)31-24-21(23(19)27)22(16-6-4-7-17(12-16)29-3)26(25(24)28)13-18-8-5-9-30-18/h4-12,22H,13H2,1-3H3/t22-/m1/s1
InChIKeyPPXPAVHLJANHNA-JOCHJYFZSA-N
XLogP4.76
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000932
(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7523292
2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820472
1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810842
1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820457
1-(4-fluorophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3723305
7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882476
7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882479
(1S)-2-[2-(dimethylamino)ethyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40768056
(1S)-2-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015249
2-(1,3-benzodioxol-5-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810840
3-[(1R)-1-(3-methoxyphenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2143924

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2013912) is (1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)c1.
What is the InChIKey of (1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PPXPAVHLJANHNA-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H21NO5/c1-14-10-19-20(11-15(14)2)31-24-21(23(19)27)22(16-6-4-7-17(12-16)29-3)26(25(24)28)13-18-8-5-9-30-18/h4-12,22H,13H2,1-3H3/t22-/m1/s1.
What are the key properties of (1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 415.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2013912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).