3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile

C12H13N3O — CID 122374777

IUPAC3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile
SMILESCN1C(=O)[C@](C)(CCC#N)c2ccncc21
InChIInChI=1S/C12H13N3O/c1-12(5-3-6-13)9-4-7-14-8-10(9)15(2)11(12)16/h4,7-8H,3,5H2,1-2H3/t12-/m1/s1
InChIKeyGQGFASXENHSWPX-GFCCVEGCSA-N
MW215.26 g/mol
LogP1.62
Rot. Bonds2

About 3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile

3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile (PubChem CID 122374777) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile
PubChem CID122374777
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile
SMILESCN1C(=O)[C@](C)(CCC#N)c2ccncc21
InChIInChI=1S/C12H13N3O/c1-12(5-3-6-13)9-4-7-14-8-10(9)15(2)11(12)16/h4,7-8H,3,5H2,1-2H3/t12-/m1/s1
InChIKeyGQGFASXENHSWPX-GFCCVEGCSA-N
XLogP1.62
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methylpropyl)-3-pyridin-3-yliminoindol-2-one
CID 5050002
2-pyridin-3-yl-3H-isoindol-1-one
CID 102423009
6-[2-Oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]hexanenitrile;hydrochloride
CID 19438950
2-[2-Oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetonitrile;hydrochloride
CID 19438951
7-[2-Oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]heptanenitrile;hydrochloride
CID 19438953
4-[2-Oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]butanenitrile;hydrochloride
CID 19438965
5-[2-Oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanenitrile;hydrochloride
CID 19438972
1H-Pyrrolo[2,3-C]pyridin-2(3H)-one
CID 11643933
1H,2H,3H-pyrrolo[2,3-c]pyridin-2-one hydrochloride
CID 21956227
2,3-dihydro-2-oxo 1-phenyl-3-(4-pyridinylmethyl)-1H-indole-3-pentanenitrile
CID 192548
3-Ethyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 11686956
2-oxo-1H,2H,3H-pyrrolo[2,3-c]pyridine-4-carbonitrile
CID 72211821

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile?
The IUPAC name of 3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile (CID 122374777) is 3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile.
What is the SMILES notation for 3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile?
The canonical SMILES for 3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile is CN1C(=O)[C@](C)(CCC#N)c2ccncc21.
What is the InChIKey of 3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile?
The InChIKey is GQGFASXENHSWPX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13N3O/c1-12(5-3-6-13)9-4-7-14-8-10(9)15(2)11(12)16/h4,7-8H,3,5H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile?
3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile has a molecular weight of 215.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1,3-dimethyl-2-oxopyrrolo[2,3-c]pyridin-3-yl]propanenitrile is sourced from PubChem (CID 122374777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).