1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone

C14H17NO2 — CID 114410228

IUPAC1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone
SMILESCOc1cccc(N2CC=CCC2)c1C(C)=O
InChIInChI=1S/C14H17NO2/c1-11(16)14-12(7-6-8-13(14)17-2)15-9-4-3-5-10-15/h3-4,6-8H,5,9-10H2,1-2H3
InChIKeyXAXPGJVKSAWCQQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone

1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone (PubChem CID 114410228) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone
PubChem CID114410228
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone
SMILESCOc1cccc(N2CC=CCC2)c1C(C)=O
InChIInChI=1S/C14H17NO2/c1-11(16)14-12(7-6-8-13(14)17-2)15-9-4-3-5-10-15/h3-4,6-8H,5,9-10H2,1-2H3
InChIKeyXAXPGJVKSAWCQQ-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone
CID 114490046
1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone
CID 113388848
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone
CID 113388844
1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide
CID 113388888
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
CID 158943354
CID 158943354
1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 113392458
(2-acetyl-3-methoxyphenyl) methanesulfonate
CID 100978812
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
CID 69184763
acetyl 2,6-dimethoxybenzoate
CID 57154954

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone (CID 114410228) is 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone is COc1cccc(N2CC=CCC2)c1C(C)=O.
What is the InChIKey of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone?
The InChIKey is XAXPGJVKSAWCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(16)14-12(7-6-8-13(14)17-2)15-9-4-3-5-10-15/h3-4,6-8H,5,9-10H2,1-2H3.
What are the key properties of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone?
1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone has a molecular weight of 231.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone is sourced from PubChem (CID 114410228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).