1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone

C8H13NO2 — CID 18799218

IUPAC1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOC1=CCN(C(C)=O)CC1
InChIInChI=1S/C8H13NO2/c1-7(10)9-5-3-8(11-2)4-6-9/h3H,4-6H2,1-2H3
InChIKeyNNZQJSKVONNUKQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds1

About 1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone

1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 18799218) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID18799218
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOC1=CCN(C(C)=O)CC1
InChIInChI=1S/C8H13NO2/c1-7(10)9-5-3-8(11-2)4-6-9/h3H,4-6H2,1-2H3
InChIKeyNNZQJSKVONNUKQ-UHFFFAOYSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 18799218) is 1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone is COC1=CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is NNZQJSKVONNUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(10)9-5-3-8(11-2)4-6-9/h3H,4-6H2,1-2H3.
What are the key properties of 1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone?
1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 155.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 18799218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).