7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C17H12BrNO3S — CID 3719320

IUPAC7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccs1
InChIInChI=1S/C17H12BrNO3S/c1-2-19-14(12-4-3-7-23-12)13-15(20)10-8-9(18)5-6-11(10)22-16(13)17(19)21/h3-8,14H,2H2,1H3
InChIKeyZGMRDWGBXBTCFQ-UHFFFAOYSA-N
MW390.26 g/mol
LogP4.18
Rot. Bonds2

About 7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3719320) has the molecular formula C17H12BrNO3S and a molecular weight of 390.26 g/mol. Its IUPAC name is 7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3719320
Molecular FormulaC17H12BrNO3S
Molecular Weight390.26 g/mol
Exact Mass388.97
IUPAC Name7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccs1
InChIInChI=1S/C17H12BrNO3S/c1-2-19-14(12-4-3-7-23-12)13-15(20)10-8-9(18)5-6-11(10)22-16(13)17(19)21/h3-8,14H,2H2,1H3
InChIKeyZGMRDWGBXBTCFQ-UHFFFAOYSA-N
XLogP4.18
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-7-bromo-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7735302
diethyl-[2-[(1R)-7-methyl-3,9-dioxo-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl]azanium
CID 7196553
(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196544
(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871956
7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3802808
2-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 2242750
2-[3-(dibutylamino)propyl]-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702804
7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705371
3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
CID 2242759
7-bromo-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5153026
2-(1,3-benzodioxol-5-ylmethyl)-7-chloro-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4653364
2-[7-bromo-1-(2-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium
CID 3356487

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3719320) is 7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccs1.
What is the InChIKey of 7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZGMRDWGBXBTCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO3S/c1-2-19-14(12-4-3-7-23-12)13-15(20)10-8-9(18)5-6-11(10)22-16(13)17(19)21/h3-8,14H,2H2,1H3.
What are the key properties of 7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 390.26 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3719320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).