1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone

C7H11NO2 — CID 121367068

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CC=CCC1
InChIInChI=1S/C7H11NO2/c9-6-7(10)8-4-2-1-3-5-8/h1-2,9H,3-6H2
InChIKeyQTUFRBVMRWQCFN-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.23
Rot. Bonds1

About 1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone

1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone (PubChem CID 121367068) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone
PubChem CID121367068
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CC=CCC1
InChIInChI=1S/C7H11NO2/c9-6-7(10)8-4-2-1-3-5-8/h1-2,9H,3-6H2
InChIKeyQTUFRBVMRWQCFN-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 1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone (CID 121367068) is 1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone is O=C(CO)N1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone?
The InChIKey is QTUFRBVMRWQCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6-7(10)8-4-2-1-3-5-8/h1-2,9H,3-6H2.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone?
1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone 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 1-(3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 121367068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).