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

C16H10ClNO3S — CID 3802808

IUPAC7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccs1
InChIInChI=1S/C16H10ClNO3S/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
InChIKeyUITUENGBZLOEEY-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.68
Rot. Bonds1

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

7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3802808) has the molecular formula C16H10ClNO3S and a molecular weight of 331.78 g/mol. Its IUPAC name is 7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3802808
Molecular FormulaC16H10ClNO3S
Molecular Weight331.78 g/mol
Exact Mass331.01
IUPAC Name7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccs1
InChIInChI=1S/C16H10ClNO3S/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
InChIKeyUITUENGBZLOEEY-UHFFFAOYSA-N
XLogP3.68
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.68
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
7-chloro-1-(2-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3556367
7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2987108
2-(1,3-benzodioxol-5-ylmethyl)-7-chloro-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4653364
(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7388458
(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7734746
7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3719320
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
7-chloro-2-methyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879694
7-chloro-1-(4-hexoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879709
(1S)-7-chloro-1-(4-chlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417731

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3802808) is 7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccs1.
What is the InChIKey of 7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UITUENGBZLOEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3S/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.
What are the key properties of 7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 331.78 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3802808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).