3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile

C18H10N2O2S — CID 136734593

IUPAC3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile
SMILESN#CC1=C(c2cccs2)c2c(O)[nH]c(-c3ccccc3)c2C1=O
InChIInChI=1S/C18H10N2O2S/c19-9-11-13(12-7-4-8-23-12)14-15(17(11)21)16(20-18(14)22)10-5-2-1-3-6-10/h1-8,20,22H
InChIKeyDIDXWSVJXNCINN-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.97
Rot. Bonds2

About 3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile

3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile (PubChem CID 136734593) has the molecular formula C18H10N2O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile
PubChem CID136734593
Molecular FormulaC18H10N2O2S
Molecular Weight318.36 g/mol
Exact Mass318.05
IUPAC Name3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile
SMILESN#CC1=C(c2cccs2)c2c(O)[nH]c(-c3ccccc3)c2C1=O
InChIInChI=1S/C18H10N2O2S/c19-9-11-13(12-7-4-8-23-12)14-15(17(11)21)16(20-18(14)22)10-5-2-1-3-6-10/h1-8,20,22H
InChIKeyDIDXWSVJXNCINN-UHFFFAOYSA-N
XLogP3.97
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile
CID 10687171
2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one
CID 135974067
5-tert-butyl-2-phenyl-3-thiophen-2-yl-1H-pyrrole
CID 141388104
2-phenyl-6-thiophen-2-ylpyran-4-one
CID 10610960
2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione
CID 11779161
(2-oxo-4-thiophen-2-yl-3H-1,3-thiazol-5-yl) thiocyanate
CID 14183492
6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 817466
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739
2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
CID 14000355
2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one
CID 66936722
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
2-hydroxy-5-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 102462555

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile?
The IUPAC name of 3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile (CID 136734593) is 3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile.
What is the SMILES notation for 3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile?
The canonical SMILES for 3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile is N#CC1=C(c2cccs2)c2c(O)[nH]c(-c3ccccc3)c2C1=O.
What is the InChIKey of 3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile?
The InChIKey is DIDXWSVJXNCINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O2S/c19-9-11-13(12-7-4-8-23-12)14-15(17(11)21)16(20-18(14)22)10-5-2-1-3-6-10/h1-8,20,22H.
What are the key properties of 3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile?
3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile has a molecular weight of 318.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile is sourced from PubChem (CID 136734593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).