2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C19H31NO3 — CID 124795904

IUPAC2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC[C@@H]1CCOC12CCN(C(=O)CC1=CCCCC1)CC2
InChIInChI=1S/C19H31NO3/c1-22-13-7-17-8-14-23-19(17)9-11-20(12-10-19)18(21)15-16-5-3-2-4-6-16/h5,17H,2-4,6-15H2,1H3/t17-/m1/s1
InChIKeyRDBQOUIFLUWCIS-QGZVFWFLSA-N
MW321.46 g/mol
LogP3.31
Rot. Bonds5

About 2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 124795904) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
PubChem CID124795904
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC[C@@H]1CCOC12CCN(C(=O)CC1=CCCCC1)CC2
InChIInChI=1S/C19H31NO3/c1-22-13-7-17-8-14-23-19(17)9-11-20(12-10-19)18(21)15-16-5-3-2-4-6-16/h5,17H,2-4,6-15H2,1H3/t17-/m1/s1
InChIKeyRDBQOUIFLUWCIS-QGZVFWFLSA-N
XLogP3.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.31
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

2-(cyclohexen-1-yl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738872
1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one
CID 124822465
2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738883
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-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707162
(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131650244
2-(cyclohexen-1-yl)-1-[(8S)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124796235
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 133142534
6-[2-(cyclohexen-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175104
2-(cyclohexen-1-yl)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 84592419
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406333
[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone
CID 124788983

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 124795904) is 2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is COCC[C@@H]1CCOC12CCN(C(=O)CC1=CCCCC1)CC2.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is RDBQOUIFLUWCIS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31NO3/c1-22-13-7-17-8-14-23-19(17)9-11-20(12-10-19)18(21)15-16-5-3-2-4-6-16/h5,17H,2-4,6-15H2,1H3/t17-/m1/s1.
What are the key properties of 2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 321.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 124795904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).