(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H21NO6 — CID 2010034

IUPAC(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C25H21NO6/c1-14-6-8-18-17(11-14)23(27)21-22(15-7-9-19(29-2)20(12-15)30-3)26(25(28)24(21)32-18)13-16-5-4-10-31-16/h4-12,22H,13H2,1-3H3/t22-/m0/s1
InChIKeyJJPDLACWXXSZLC-QFIPXVFZSA-N
MW431.44 g/mol
LogP4.46
Rot. Bonds5

About (1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2010034) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is (1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2010034
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C25H21NO6/c1-14-6-8-18-17(11-14)23(27)21-22(15-7-9-19(29-2)20(12-15)30-3)26(25(28)24(21)32-18)13-16-5-4-10-31-16/h4-12,22H,13H2,1-3H3/t22-/m0/s1
InChIKeyJJPDLACWXXSZLC-QFIPXVFZSA-N
XLogP4.46
TPSA82.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40870877
(1S)-2-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015249
(1S)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000932
1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4223731
(1R)-1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2030987
1-(3-ethoxy-4-pentoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820078
1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820076
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820079
(1R)-2-(furan-2-ylmethyl)-7-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2001195
7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3750775
(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000662
(1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023902

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2010034) is (1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC.
What is the InChIKey of (1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JJPDLACWXXSZLC-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H21NO6/c1-14-6-8-18-17(11-14)23(27)21-22(15-7-9-19(29-2)20(12-15)30-3)26(25(28)24(21)32-18)13-16-5-4-10-31-16/h4-12,22H,13H2,1-3H3/t22-/m0/s1.
What are the key properties of (1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 431.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2010034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).