5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C11H8N2OS — CID 15504071

IUPAC5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(-c3ccsc3)cnc2N1
InChIInChI=1S/C11H8N2OS/c14-10-4-8-3-9(5-12-11(8)13-10)7-1-2-15-6-7/h1-3,5-6H,4H2,(H,12,13,14)
InChIKeyVWWOPAKWVNZTTP-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.30
Rot. Bonds1

About 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 15504071) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID15504071
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(-c3ccsc3)cnc2N1
InChIInChI=1S/C11H8N2OS/c14-10-4-8-3-9(5-12-11(8)13-10)7-1-2-15-6-7/h1-3,5-6H,4H2,(H,12,13,14)
InChIKeyVWWOPAKWVNZTTP-UHFFFAOYSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
6-methyl-N-2-pyridinyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970481
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
N-(4-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 16377304
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 18106949
4-keto-N-(3-methyl-2-pyridyl)-4-(2-thienyl)butyramide
CID 18106997
N-(4-methylpyridin-2-yl)thiophene-2-carboxamide
CID 685128
N-pyridin-2-yl-2-thiophen-2-ylacetamide
CID 836204
8-methylsulfanyl-N-pyridin-2-yl-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
CID 126512125
N-(2-Pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 829296
2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-pyridin-2-ylacetamide
CID 24818216
N-(5-methyl-2-pyridinyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 35022206

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 15504071) is 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2cc(-c3ccsc3)cnc2N1.
What is the InChIKey of 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is VWWOPAKWVNZTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c14-10-4-8-3-9(5-12-11(8)13-10)7-1-2-15-6-7/h1-3,5-6H,4H2,(H,12,13,14).
What are the key properties of 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 216.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 15504071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).