(1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H18BrNO4 — CID 2011902

IUPAC(1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1C[C@H]1CCCO1
InChIInChI=1S/C22H18BrNO4/c23-14-6-3-5-13(11-14)19-18-20(25)16-8-1-2-9-17(16)28-21(18)22(26)24(19)12-15-7-4-10-27-15/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2/t15-,19+/m1/s1
InChIKeyJHSXLLRMDVIMQX-BEFAXECRSA-N
MW440.29 g/mol
LogP4.28
Rot. Bonds3

About (1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2011902) has the molecular formula C22H18BrNO4 and a molecular weight of 440.29 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2011902
Molecular FormulaC22H18BrNO4
Molecular Weight440.29 g/mol
Exact Mass439.04
IUPAC Name(1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1C[C@H]1CCCO1
InChIInChI=1S/C22H18BrNO4/c23-14-6-3-5-13(11-14)19-18-20(25)16-8-1-2-9-17(16)28-21(18)22(26)24(19)12-15-7-4-10-27-15/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2/t15-,19+/m1/s1
InChIKeyJHSXLLRMDVIMQX-BEFAXECRSA-N
XLogP4.28
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4667186
1-(3-bromophenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5011212
(1R)-1-(3-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7559980
7-bromo-1-(4-bromophenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820312
(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2218876
(1S)-1-(3,4-dimethoxyphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7528717
6,7-dimethyl-2-(oxolan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3611238
(1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2032491
(1S)-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27314881
1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5091546
7-methyl-2-(oxolan-2-ylmethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820036
(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2022884

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2011902) is (1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1C[C@H]1CCCO1.
What is the InChIKey of (1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JHSXLLRMDVIMQX-BEFAXECRSA-N. The full InChI is InChI=1S/C22H18BrNO4/c23-14-6-3-5-13(11-14)19-18-20(25)16-8-1-2-9-17(16)28-21(18)22(26)24(19)12-15-7-4-10-27-15/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2/t15-,19+/m1/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 440.29 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2011902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).