2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

C21H28N2O3 — CID 124791746

IUPAC2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CC2(C1)OCC[C@@H]2COCc1ccccn1
InChIInChI=1S/C21H28N2O3/c24-20(12-17-6-2-1-3-7-17)23-15-21(16-23)18(9-11-26-21)13-25-14-19-8-4-5-10-22-19/h4-6,8,10,18H,1-3,7,9,11-16H2/t18-/m1/s1
InChIKeyHTYWJDPXUVBAPH-GOSISDBHSA-N
MW356.47 g/mol
LogP3.11
Rot. Bonds6

About 2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 124791746) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID124791746
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CC2(C1)OCC[C@@H]2COCc1ccccn1
InChIInChI=1S/C21H28N2O3/c24-20(12-17-6-2-1-3-7-17)23-15-21(16-23)18(9-11-26-21)13-25-14-19-8-4-5-10-22-19/h4-6,8,10,18H,1-3,7,9,11-16H2/t18-/m1/s1
InChIKeyHTYWJDPXUVBAPH-GOSISDBHSA-N
XLogP3.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124792473
2-(2-fluorophenyl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124793887
3-methyl-1-[8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one
CID 131669286
2-(cyclohexen-1-yl)-1-[(8S)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124796235
(4-methyl-1,3-oxazol-5-yl)-[(8S)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124812733
(8S)-N,N-dimethyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
CID 124805483
(3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124912995
(8R)-2-ethylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124895164
(8S)-2-[(2-methoxyphenyl)methyl]-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124817074
2-(cyclohexen-1-yl)-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]ethanone
CID 129007494
2-(4-fluorophenyl)-1-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124796836
1-adamantyl-[8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692091

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (CID 124791746) is 2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is O=C(CC1=CCCCC1)N1CC2(C1)OCC[C@@H]2COCc1ccccn1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is HTYWJDPXUVBAPH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-20(12-17-6-2-1-3-7-17)23-15-21(16-23)18(9-11-26-21)13-25-14-19-8-4-5-10-22-19/h4-6,8,10,18H,1-3,7,9,11-16H2/t18-/m1/s1.
What are the key properties of 2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 124791746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).