2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone

C11H16N2O3 — CID 106670312

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)CN1CC(O)C(O)C1
InChIInChI=1S/C11H16N2O3/c1-12-4-2-3-8(12)9(14)5-13-6-10(15)11(16)7-13/h2-4,10-11,15-16H,5-7H2,1H3
InChIKeyVUKMWIOHFJDSOY-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.75
Rot. Bonds3

About 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone

2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 106670312) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID106670312
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)CN1CC(O)C(O)C1
InChIInChI=1S/C11H16N2O3/c1-12-4-2-3-8(12)9(14)5-13-6-10(15)11(16)7-13/h2-4,10-11,15-16H,5-7H2,1H3
InChIKeyVUKMWIOHFJDSOY-UHFFFAOYSA-N
XLogP-0.75
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 43226564
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 63163799
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 51675918
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 129428064
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 113234331
2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone
CID 152565416
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 60972282
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 81204408
2-(methylamino)-1-(1-methylpyrrol-2-yl)ethanone
CID 82594983
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one
CID 55158414

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone (CID 106670312) is 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone is Cn1cccc1C(=O)CN1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is VUKMWIOHFJDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-12-4-2-3-8(12)9(14)5-13-6-10(15)11(16)7-13/h2-4,10-11,15-16H,5-7H2,1H3.
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 224.26 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 106670312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).