2-methoxy-2,5-dihydro-1H-pyridin-6-one

C6H9NO2 — CID 21051756

IUPAC2-methoxy-2,5-dihydro-1H-pyridin-6-one
SMILESCOC1C=CCC(=O)N1
InChIInChI=1S/C6H9NO2/c1-9-6-4-2-3-5(8)7-6/h2,4,6H,3H2,1H3,(H,7,8)
InChIKeyVQSQMHBYVZAXKV-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.04
Rot. Bonds1

About 2-methoxy-2,5-dihydro-1H-pyridin-6-one

2-methoxy-2,5-dihydro-1H-pyridin-6-one (PubChem CID 21051756) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-methoxy-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name2-methoxy-2,5-dihydro-1H-pyridin-6-one
PubChem CID21051756
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-methoxy-2,5-dihydro-1H-pyridin-6-one
SMILESCOC1C=CCC(=O)N1
InChIInChI=1S/C6H9NO2/c1-9-6-4-2-3-5(8)7-6/h2,4,6H,3H2,1H3,(H,7,8)
InChIKeyVQSQMHBYVZAXKV-UHFFFAOYSA-N
XLogP0.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-1,2,3,6-tetrahydropyridine
CID 70426649
2-hydroxy-5-methyl-2,5-dihydro-1H-pyridin-6-one
CID 130441956
N-(4-methoxycyclohexa-2,5-dien-1-yl)acetamide
CID 138630718
N-[(Z)-5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide
CID 153306524
2-methyl-N-[(E)-5-(2-methylpropoxy)pent-3-enyl]propanamide
CID 153306559
(E)-N-(2,2-dimethylpropyl)-2,2-dimethyl-5-propoxypent-3-enamide
CID 156566485
2-methyl-N-[(E)-5-propoxypent-3-enyl]propanamide
CID 156566704
N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide
CID 158766196
2-methyl-N-[5-(2-methylpropoxy)pent-3-enyl]propanamide
CID 160453773
2,6-Dimethoxy-1,2,3,6-tetrahydropyridine
CID 160599293
(Z)-6-ethoxy-N-ethylhex-4-enamide
CID 169923677
(E)-5-ethoxy-N-ethyl-2,2-dimethylpent-3-enamide
CID 169923744

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of 2-methoxy-2,5-dihydro-1H-pyridin-6-one (CID 21051756) is 2-methoxy-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 2-methoxy-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for 2-methoxy-2,5-dihydro-1H-pyridin-6-one is COC1C=CCC(=O)N1.
What is the InChIKey of 2-methoxy-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is VQSQMHBYVZAXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-9-6-4-2-3-5(8)7-6/h2,4,6H,3H2,1H3,(H,7,8).
What are the key properties of 2-methoxy-2,5-dihydro-1H-pyridin-6-one?
2-methoxy-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 127.14 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 21051756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).