1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

C10H17NO2 — CID 114390150

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C10H17NO2/c1-3-10(12)11-6-4-9(5-7-11)8-13-2/h4H,3,5-8H2,1-2H3
InChIKeyPZVOTCGMNBKYNO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

About 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 114390150) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID114390150
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C10H17NO2/c1-3-10(12)11-6-4-9(5-7-11)8-13-2/h4H,3,5-8H2,1-2H3
InChIKeyPZVOTCGMNBKYNO-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
2,2,3,3-tetrafluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113586007
2,2,3,3,3-pentafluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114038258
2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114413635
1-Ethyl-4-methoxymethyl-1,2,3,6-tetrahydropyridine
CID 14442214
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442230
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
tert-butyl 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 114393268
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
CID 130973897
2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one
CID 146290006
3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
CID 146290009
4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
CID 146290012

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 114390150) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is CCC(=O)N1CC=C(COC)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is PZVOTCGMNBKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10(12)11-6-4-9(5-7-11)8-13-2/h4H,3,5-8H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 114390150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).