2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone

C12H14N2O3 — CID 167852184

IUPAC2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone
SMILESO=C(N1CCc2ncccc21)C1(O)CCOC1
InChIInChI=1S/C12H14N2O3/c15-11(12(16)4-7-17-8-12)14-6-3-9-10(14)2-1-5-13-9/h1-2,5,16H,3-4,6-8H2
InChIKeyHSJJYUCHCVDMFP-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.12
Rot. Bonds1

About 2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone

2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone (PubChem CID 167852184) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone
PubChem CID167852184
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone
SMILESO=C(N1CCc2ncccc21)C1(O)CCOC1
InChIInChI=1S/C12H14N2O3/c15-11(12(16)4-7-17-8-12)14-6-3-9-10(14)2-1-5-13-9/h1-2,5,16H,3-4,6-8H2
InChIKeyHSJJYUCHCVDMFP-UHFFFAOYSA-N
XLogP0.12
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 59566496
[2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 167014228
(3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 170181625
(1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
CID 136516324
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 24653451
(3,4-difluorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 24678454
[4-(aminomethyl)oxan-4-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120933176
4-(2,3-dihydropyrrolo[3,2-b]pyridin-1-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylic acid
CID 177323120
(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
CID 95157678
(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 136544164
(E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one
CID 24678434
5-hydroxy-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
CID 83906286

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone?
The IUPAC name of 2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone (CID 167852184) is 2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone.
What is the SMILES notation for 2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone?
The canonical SMILES for 2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone is O=C(N1CCc2ncccc21)C1(O)CCOC1.
What is the InChIKey of 2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone?
The InChIKey is HSJJYUCHCVDMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(12(16)4-7-17-8-12)14-6-3-9-10(14)2-1-5-13-9/h1-2,5,16H,3-4,6-8H2.
What are the key properties of 2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone?
2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone has a molecular weight of 234.25 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrolo[3,2-b]pyridin-1-yl-(3-hydroxyoxolan-3-yl)methanone is sourced from PubChem (CID 167852184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).