1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C13H10N4O3 — CID 161014056

IUPAC1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=C1Cc2cccnc2N1.O=c1[nH]c2ncccc2o1
InChIInChI=1S/C7H6N2O.C6H4N2O2/c10-6-4-5-2-1-3-8-7(5)9-6;9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,4H2,(H,8,9,10);1-3H,(H,7,8,9)
InChIKeyTXMMMORAWYWYHH-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.09
Rot. Bonds

About 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one

1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 161014056) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID161014056
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=C1Cc2cccnc2N1.O=c1[nH]c2ncccc2o1
InChIInChI=1S/C7H6N2O.C6H4N2O2/c10-6-4-5-2-1-3-8-7(5)9-6;9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,4H2,(H,8,9,10);1-3H,(H,7,8,9)
InChIKeyTXMMMORAWYWYHH-UHFFFAOYSA-N
XLogP1.09
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

CID 67884406
CID 67884406
1H-benzimidazole;3H-1,3-benzoxazol-2-one;1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3,4-dihydro-1H-quinazolin-2-one;1H-imidazo[4,5-b]pyridine;7H-purine;1H-quinoxalin-2-one
CID 159632656
2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 131728559
ethane;7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 143569330
3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen
CID 143776107
9-methyl-5,10-dihydrobenzo[b][1,8]naphthyridine
CID 10330313
7,9-dihydro-6H-pyrido[2,3-b]azepine-5,8-dione
CID 55255707
5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 71710986
7-iodo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 19067074
6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
CID 58901622
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
3H-[1,3]oxazolo[4,5-d]pyrimidin-6-ium-2-one
CID 123991954

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 161014056) is 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one is O=C1Cc2cccnc2N1.O=c1[nH]c2ncccc2o1.
What is the InChIKey of 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is TXMMMORAWYWYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.C6H4N2O2/c10-6-4-5-2-1-3-8-7(5)9-6;9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,4H2,(H,8,9,10);1-3H,(H,7,8,9).
What are the key properties of 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 270.25 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 161014056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).