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

C16H10BrNO3S — CID 7735302

IUPAC(1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccs1
InChIInChI=1S/C16H10BrNO3S/c1-18-13(11-3-2-6-22-11)12-14(19)9-7-8(17)4-5-10(9)21-15(12)16(18)20/h2-7,13H,1H3/t13-/m1/s1
InChIKeyFZORPVXTBYNVQA-CYBMUJFWSA-N
MW376.23 g/mol
LogP3.79
Rot. Bonds1

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

(1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7735302) has the molecular formula C16H10BrNO3S and a molecular weight of 376.23 g/mol. Its IUPAC name is (1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7735302
Molecular FormulaC16H10BrNO3S
Molecular Weight376.23 g/mol
Exact Mass374.96
IUPAC Name(1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccs1
InChIInChI=1S/C16H10BrNO3S/c1-18-13(11-3-2-6-22-11)12-14(19)9-7-8(17)4-5-10(9)21-15(12)16(18)20/h2-7,13H,1H3/t13-/m1/s1
InChIKeyFZORPVXTBYNVQA-CYBMUJFWSA-N
XLogP3.79
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3802808
7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3719320
7-bromo-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5153026
(1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40540359
(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023388
7-bromo-2-methyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879727
diethyl-[2-[(1R)-7-methyl-3,9-dioxo-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl]azanium
CID 7196553
(1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7741307
(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196544
2-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 2242750
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879753
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879748

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7735302) is (1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccs1.
What is the InChIKey of (1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FZORPVXTBYNVQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H10BrNO3S/c1-18-13(11-3-2-6-22-11)12-14(19)9-7-8(17)4-5-10(9)21-15(12)16(18)20/h2-7,13H,1H3/t13-/m1/s1.
What are the key properties of (1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 376.23 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7735302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).