2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione

C14H6N2O2S — CID 141406311

IUPAC2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=c1nc2cc(-c3cc4ccccc4s3)nc-2c1=O
InChIInChI=1S/C14H6N2O2S/c17-13-12-9(16-14(13)18)6-8(15-12)11-5-7-3-1-2-4-10(7)19-11/h1-6H
InChIKeyVHTBLBSVBSUMQT-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.06
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione

2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione (PubChem CID 141406311) has the molecular formula C14H6N2O2S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione
PubChem CID141406311
Molecular FormulaC14H6N2O2S
Molecular Weight266.28 g/mol
Exact Mass266.01
IUPAC Name2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione
SMILESO=c1nc2cc(-c3cc4ccccc4s3)nc-2c1=O
InChIInChI=1S/C14H6N2O2S/c17-13-12-9(16-14(13)18)6-8(15-12)11-5-7-3-1-2-4-10(7)19-11/h1-6H
InChIKeyVHTBLBSVBSUMQT-UHFFFAOYSA-N
XLogP2.06
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264
4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
CID 71481720
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 146183109
2-(1-benzothiophen-2-yl)-5-nitropyridine
CID 142834832
2-(1-benzothiophen-2-yl)-4-methylquinoline
CID 71817881
2-(1-benzothiophen-2-yl)benzo[g]quinoline
CID 102420322
6-(1-benzothiophen-2-yl)pyridine-3-carbaldehyde
CID 147960964
3-oxophenothiazine-2-carbonitrile
CID 71385021
4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole
CID 102974597
6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one
CID 154352943
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione?
The IUPAC name of 2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione (CID 141406311) is 2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione?
The canonical SMILES for 2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione is O=c1nc2cc(-c3cc4ccccc4s3)nc-2c1=O.
What is the InChIKey of 2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione?
The InChIKey is VHTBLBSVBSUMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N2O2S/c17-13-12-9(16-14(13)18)6-8(15-12)11-5-7-3-1-2-4-10(7)19-11/h1-6H.
What are the key properties of 2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione?
2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione has a molecular weight of 266.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione is sourced from PubChem (CID 141406311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).