2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone

C7H11NO2 — CID 118553654

IUPAC2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone
SMILESCC1=CCN(C(=O)CO)C1
InChIInChI=1S/C7H11NO2/c1-6-2-3-8(4-6)7(10)5-9/h2,9H,3-5H2,1H3
InChIKeyVDKNBDBFJJMKPV-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.23
Rot. Bonds1

About 2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone

2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone (PubChem CID 118553654) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone
PubChem CID118553654
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone
SMILESCC1=CCN(C(=O)CO)C1
InChIInChI=1S/C7H11NO2/c1-6-2-3-8(4-6)7(10)5-9/h2,9H,3-5H2,1H3
InChIKeyVDKNBDBFJJMKPV-UHFFFAOYSA-N
XLogP-0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone (CID 118553654) is 2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone is CC1=CCN(C(=O)CO)C1.
What is the InChIKey of 2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone?
The InChIKey is VDKNBDBFJJMKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-2-3-8(4-6)7(10)5-9/h2,9H,3-5H2,1H3.
What are the key properties of 2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone?
2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone has a molecular weight of 141.17 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone is sourced from PubChem (CID 118553654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).