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

C18H12BrNO3 — CID 7741307

IUPAC(1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1
InChIInChI=1S/C18H12BrNO3/c1-20-15(10-5-4-6-11(19)9-10)14-16(21)12-7-2-3-8-13(12)23-17(14)18(20)22/h2-9,15H,1H3/t15-/m0/s1
InChIKeyMFIHZQMNSBBDST-HNNXBMFYSA-N
MW370.20 g/mol
LogP3.73
Rot. Bonds1

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

(1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7741307) has the molecular formula C18H12BrNO3 and a molecular weight of 370.20 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7741307
Molecular FormulaC18H12BrNO3
Molecular Weight370.20 g/mol
Exact Mass369.00
IUPAC Name(1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1
InChIInChI=1S/C18H12BrNO3/c1-20-15(10-5-4-6-11(19)9-10)14-16(21)12-7-2-3-8-13(12)23-17(14)18(20)22/h2-9,15H,1H3/t15-/m0/s1
InChIKeyMFIHZQMNSBBDST-HNNXBMFYSA-N
XLogP3.73
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7379009
7-bromo-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5153026
1-(3-bromophenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5091546
1-(3-butoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879631
2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3799985
2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879633
1-(3-bromophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3548241
(1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40540359
1-(3-bromophenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4667186
(1S)-1-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2011902
(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023388
methyl 4-(2-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 5116718

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7741307) is (1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1.
What is the InChIKey of (1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MFIHZQMNSBBDST-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H12BrNO3/c1-20-15(10-5-4-6-11(19)9-10)14-16(21)12-7-2-3-8-13(12)23-17(14)18(20)22/h2-9,15H,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 370.20 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7741307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).