1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone

C9H13N2O+ — CID 163689340

IUPAC1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone
SMILESCC(=O)c1cc2c([nH]1)CC[NH2+]C2
InChIInChI=1S/C9H12N2O/c1-6(12)9-4-7-5-10-3-2-8(7)11-9/h4,10-11H,2-3,5H2,1H3/p+1
InChIKeyJRPFBORGCUWXJD-UHFFFAOYSA-O
MW165.22 g/mol
LogP-0.16
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone

1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone (PubChem CID 163689340) has the molecular formula C9H13N2O+ and a molecular weight of 165.22 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone
PubChem CID163689340
Molecular FormulaC9H13N2O+
Molecular Weight165.22 g/mol
Exact Mass165.10
IUPAC Name1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone
SMILESCC(=O)c1cc2c([nH]1)CC[NH2+]C2
InChIInChI=1S/C9H12N2O/c1-6(12)9-4-7-5-10-3-2-8(7)11-9/h4,10-11H,2-3,5H2,1H3/p+1
InChIKeyJRPFBORGCUWXJD-UHFFFAOYSA-O
XLogP-0.16
TPSA49.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone
CID 82417563
1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
CID 82410032
1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
CID 70937776
1-(6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl)ethanone
CID 86341587
4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 77174580
(Z)-3-(dimethylamino)-N,N-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)prop-2-enamide
CID 134857323
2,2,2-trichloro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone
CID 67016154
(5,5-difluoro-1,4,6,7-tetrahydroindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 50913257
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-2-carboxylic acid
CID 155970550
1-(4-iodo-5-nitro-1H-pyrrol-2-yl)ethanone
CID 101448626
1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone
CID 54141257
N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 118425243

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone (CID 163689340) is 1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone is CC(=O)c1cc2c([nH]1)CC[NH2+]C2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone?
The InChIKey is JRPFBORGCUWXJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N2O/c1-6(12)9-4-7-5-10-3-2-8(7)11-9/h4,10-11H,2-3,5H2,1H3/p+1.
What are the key properties of 1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone?
1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone has a molecular weight of 165.22 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone is sourced from PubChem (CID 163689340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).