(3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one

C13H10N2OS — CID 175969352

IUPAC(3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one
SMILESO=C1Nc2ncccc2[C@]12Cc1ccsc1C2
InChIInChI=1S/C13H10N2OS/c16-12-13(6-8-3-5-17-10(8)7-13)9-2-1-4-14-11(9)15-12/h1-5H,6-7H2,(H,14,15,16)/t13-/m1/s1
InChIKeyVCTHMUSQZOAXBH-CYBMUJFWSA-N
MW242.30 g/mol
LogP2.13
Rot. Bonds

About (3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one

(3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one (PubChem CID 175969352) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is (3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one.

Molecular Properties

Compound Name(3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one
PubChem CID175969352
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name(3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one
SMILESO=C1Nc2ncccc2[C@]12Cc1ccsc1C2
InChIInChI=1S/C13H10N2OS/c16-12-13(6-8-3-5-17-10(8)7-13)9-2-1-4-14-11(9)15-12/h1-5H,6-7H2,(H,14,15,16)/t13-/m1/s1
InChIKeyVCTHMUSQZOAXBH-CYBMUJFWSA-N
XLogP2.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one?
The IUPAC name of (3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one (CID 175969352) is (3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one.
What is the SMILES notation for (3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one?
The canonical SMILES for (3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one is O=C1Nc2ncccc2[C@]12Cc1ccsc1C2.
What is the InChIKey of (3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one?
The InChIKey is VCTHMUSQZOAXBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-12-13(6-8-3-5-17-10(8)7-13)9-2-1-4-14-11(9)15-12/h1-5H,6-7H2,(H,14,15,16)/t13-/m1/s1.
What are the key properties of (3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one?
(3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one has a molecular weight of 242.30 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one is sourced from PubChem (CID 175969352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).