1-(azocan-1-yl)-3-methoxypropan-2-one

C11H21NO2 — CID 107507090

IUPAC1-(azocan-1-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CCCCCCC1
InChIInChI=1S/C11H21NO2/c1-14-10-11(13)9-12-7-5-3-2-4-6-8-12/h2-10H2,1H3
InChIKeyGTUDXQVSKKHMIJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.47
Rot. Bonds4

About 1-(azocan-1-yl)-3-methoxypropan-2-one

1-(azocan-1-yl)-3-methoxypropan-2-one (PubChem CID 107507090) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(azocan-1-yl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(azocan-1-yl)-3-methoxypropan-2-one
PubChem CID107507090
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(azocan-1-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CCCCCCC1
InChIInChI=1S/C11H21NO2/c1-14-10-11(13)9-12-7-5-3-2-4-6-8-12/h2-10H2,1H3
InChIKeyGTUDXQVSKKHMIJ-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-methoxypropan-2-one
CID 107507094
1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
CID 116593221
1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
CID 107507405
1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-2-one
CID 107507399
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 107507575
1-(3-methoxy-2-oxopropyl)piperidin-2-one
CID 107507681
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
CID 107507402
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504
1-(3-methoxy-2-oxopropyl)piperidine-2-carboxamide
CID 107507306
2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
CID 174749833

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-3-methoxypropan-2-one?
The IUPAC name of 1-(azocan-1-yl)-3-methoxypropan-2-one (CID 107507090) is 1-(azocan-1-yl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(azocan-1-yl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(azocan-1-yl)-3-methoxypropan-2-one is COCC(=O)CN1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-3-methoxypropan-2-one?
The InChIKey is GTUDXQVSKKHMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-14-10-11(13)9-12-7-5-3-2-4-6-8-12/h2-10H2,1H3.
What are the key properties of 1-(azocan-1-yl)-3-methoxypropan-2-one?
1-(azocan-1-yl)-3-methoxypropan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-3-methoxypropan-2-one is sourced from PubChem (CID 107507090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).