(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H19NO4 — CID 1034380

IUPAC(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C25H19NO4/c1-29-18-11-7-10-17(14-18)22-21-23(27)19-12-5-6-13-20(19)30-24(21)25(28)26(22)15-16-8-3-2-4-9-16/h2-14,22H,15H2,1H3/t22-/m0/s1
InChIKeyLOTXFQGEBKGMDF-QFIPXVFZSA-N
MW397.43 g/mol
LogP4.55
Rot. Bonds4

About (1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 1034380) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is (1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID1034380
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C25H19NO4/c1-29-18-11-7-10-17(14-18)22-21-23(27)19-12-5-6-13-20(19)30-24(21)25(28)26(22)15-16-8-3-2-4-9-16/h2-14,22H,15H2,1H3/t22-/m0/s1
InChIKeyLOTXFQGEBKGMDF-QFIPXVFZSA-N
XLogP4.55
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7523292
1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810842
3-[(1R)-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2005998
2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113960
2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809613
(1R)-2-(3-ethoxypropyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849874
2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810811
(1R)-1-(4-hydroxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143970
1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4986790
2-[(4-methylphenyl)methyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3347808
2-benzyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3635829
(1R)-1-(3-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7559980

Frequently Asked Questions

What is the IUPAC name of (1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 1034380) is (1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)c1.
What is the InChIKey of (1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LOTXFQGEBKGMDF-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H19NO4/c1-29-18-11-7-10-17(14-18)22-21-23(27)19-12-5-6-13-20(19)30-24(21)25(28)26(22)15-16-8-3-2-4-9-16/h2-14,22H,15H2,1H3/t22-/m0/s1.
What are the key properties of (1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 397.43 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 1034380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).