1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one

C19H33NO3 — CID 164681516

IUPAC1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one
SMILESCCCCCCC(=O)CCC1CCCCC12CCC(=O)N2OC
InChIInChI=1S/C19H33NO3/c1-3-4-5-6-10-17(21)12-11-16-9-7-8-14-19(16)15-13-18(22)20(19)23-2/h16H,3-15H2,1-2H3
InChIKeyMRKHRNSEJZMWOG-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.42
Rot. Bonds9

About 1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one

1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one (PubChem CID 164681516) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one
PubChem CID164681516
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one
SMILESCCCCCCC(=O)CCC1CCCCC12CCC(=O)N2OC
InChIInChI=1S/C19H33NO3/c1-3-4-5-6-10-17(21)12-11-16-9-7-8-14-19(16)15-13-18(22)20(19)23-2/h16H,3-15H2,1-2H3
InChIKeyMRKHRNSEJZMWOG-UHFFFAOYSA-N
XLogP4.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(1S,2S)-1-azido-2-(3-oxononyl)cyclohexyl]propanoate
CID 11501484
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1-(1,4-dioxaspiro[4.4]nonan-9-yl)octan-3-one
CID 152746966
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CID 521722
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CID 22759869
2-(3-oxoheptyl)cyclohexan-1-one
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1-cyclopropyltritriacontan-16-one
CID 175774225
nonadecan-7-one
CID 12913434
pentacosane-7,19-dione
CID 139254510
pentacosan-7-one
CID 54551687
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one (CID 164681516) is 1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one is CCCCCCC(=O)CCC1CCCCC12CCC(=O)N2OC.
What is the InChIKey of 1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one?
The InChIKey is MRKHRNSEJZMWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-3-4-5-6-10-17(21)12-11-16-9-7-8-14-19(16)15-13-18(22)20(19)23-2/h16H,3-15H2,1-2H3.
What are the key properties of 1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one?
1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one has a molecular weight of 323.48 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-(3-oxononyl)-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 164681516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).