(1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H24BrNO4 — CID 2032491

IUPAC(1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C25H24BrNO4/c1-14(2)15-5-7-16(8-6-15)22-21-23(28)19-12-17(26)9-10-20(19)31-24(21)25(29)27(22)13-18-4-3-11-30-18/h5-10,12,14,18,22H,3-4,11,13H2,1-2H3/t18-,22-/m0/s1
InChIKeyNGVAIIWZADRYEF-AVRDEDQJSA-N
MW482.37 g/mol
LogP5.40
Rot. Bonds4

About (1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2032491) has the molecular formula C25H24BrNO4 and a molecular weight of 482.37 g/mol. Its IUPAC name is (1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2032491
Molecular FormulaC25H24BrNO4
Molecular Weight482.37 g/mol
Exact Mass481.09
IUPAC Name(1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C25H24BrNO4/c1-14(2)15-5-7-16(8-6-15)22-21-23(28)19-12-17(26)9-10-20(19)31-24(21)25(29)27(22)13-18-4-3-11-30-18/h5-10,12,14,18,22H,3-4,11,13H2,1-2H3/t18-,22-/m0/s1
InChIKeyNGVAIIWZADRYEF-AVRDEDQJSA-N
XLogP5.40
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-1-(4-bromophenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820312
(1R)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2017902
(1S)-7-chloro-1-(4-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000242
(1S)-7-chloro-1-(4-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000240
1-(3-bromophenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5011212
(1S)-1-(4-tert-butylphenyl)-7-methyl-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2014665
(1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2011902
1-(3-bromophenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4667186
(1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015174
(1S)-7-methyl-1-(4-methylsulfanylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2037916
(1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871611
(1R)-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2218876

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (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) is (1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1.
What is the InChIKey of (1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NGVAIIWZADRYEF-AVRDEDQJSA-N. The full InChI is InChI=1S/C25H24BrNO4/c1-14(2)15-5-7-16(8-6-15)22-21-23(28)19-12-17(26)9-10-20(19)31-24(21)25(29)27(22)13-18-4-3-11-30-18/h5-10,12,14,18,22H,3-4,11,13H2,1-2H3/t18-,22-/m0/s1.
What are the key properties of (1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 482.37 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2032491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).