1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone

C9H10N2O — CID 45086257

IUPAC1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
SMILESCC(=O)N1CCc2cnccc21
InChIInChI=1S/C9H10N2O/c1-7(12)11-5-3-8-6-10-4-2-9(8)11/h2,4,6H,3,5H2,1H3
InChIKeyFSMACFGHPQEJAC-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.99
Rot. Bonds

About 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone

1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone (PubChem CID 45086257) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
PubChem CID45086257
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
SMILESCC(=O)N1CCc2cnccc21
InChIInChI=1S/C9H10N2O/c1-7(12)11-5-3-8-6-10-4-2-9(8)11/h2,4,6H,3,5H2,1H3
InChIKeyFSMACFGHPQEJAC-UHFFFAOYSA-N
XLogP0.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-hydroxypropan-1-one
CID 142479905
2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 75502685
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
CID 18101699
1-[(2R)-2-(2,3-dihydropyrrolo[3,2-c]pyridine-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 99615668
2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid
CID 117224007
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
(1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
CID 86803204
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 75510227
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-(4-propoxyphenyl)propan-1-one
CID 71994646
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone
CID 99576650

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone (CID 45086257) is 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone is CC(=O)N1CCc2cnccc21.
What is the InChIKey of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The InChIKey is FSMACFGHPQEJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7(12)11-5-3-8-6-10-4-2-9(8)11/h2,4,6H,3,5H2,1H3.
What are the key properties of 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone has a molecular weight of 162.19 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone is sourced from PubChem (CID 45086257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).