2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one

C19H31NO2 — CID 143468478

IUPAC2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one
SMILESO=C1N=C(CCCC2CCCCCCC2)OC12CCCCC2
InChIInChI=1S/C19H31NO2/c21-18-19(14-7-4-8-15-19)22-17(20-18)13-9-12-16-10-5-2-1-3-6-11-16/h16H,1-15H2
InChIKeyLVVIHFHBIVTSLW-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.18
Rot. Bonds4

About 2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one

2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one (PubChem CID 143468478) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one
PubChem CID143468478
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one
SMILESO=C1N=C(CCCC2CCCCCCC2)OC12CCCCC2
InChIInChI=1S/C19H31NO2/c21-18-19(14-7-4-8-15-19)22-17(20-18)13-9-12-16-10-5-2-1-3-6-11-16/h16H,1-15H2
InChIKeyLVVIHFHBIVTSLW-UHFFFAOYSA-N
XLogP5.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-cyclohexylpropyl)-3-methylcyclohex-2-en-1-one
CID 71400842
3-(cyclohexylmethyl)-4a,8a-dimethyl-5,6,7,8-tetrahydro-4,1λ6,2-benzoxathiazine 1,1-dioxide
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CID 168781110
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CID 3028091

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one (CID 143468478) is 2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one is O=C1N=C(CCCC2CCCCCCC2)OC12CCCCC2.
What is the InChIKey of 2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one?
The InChIKey is LVVIHFHBIVTSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c21-18-19(14-7-4-8-15-19)22-17(20-18)13-9-12-16-10-5-2-1-3-6-11-16/h16H,1-15H2.
What are the key properties of 2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one?
2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one has a molecular weight of 305.46 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclooctylpropyl)-1-oxa-3-azaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 143468478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).