3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane

C13H21NO2 — CID 102930141

IUPAC3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCC#CCCOC1COC2(CCNCC2)C1
InChIInChI=1S/C13H21NO2/c1-2-3-4-9-15-12-10-13(16-11-12)5-7-14-8-6-13/h12,14H,4-11H2,1H3
InChIKeyRWZCGFKBEMBUMY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.33
Rot. Bonds3

About 3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane

3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930141) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930141
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCC#CCCOC1COC2(CCNCC2)C1
InChIInChI=1S/C13H21NO2/c1-2-3-4-9-15-12-10-13(16-11-12)5-7-14-8-6-13/h12,14H,4-11H2,1H3
InChIKeyRWZCGFKBEMBUMY-UHFFFAOYSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930216
3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930291
2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile
CID 102930322
N,N-dimethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930339
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930090
3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930085
3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930394
N-tert-butyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930376
3-[(4-methoxyphenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930200
(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97486843
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 97394988

Frequently Asked Questions

What is the IUPAC name of 3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane (CID 102930141) is 3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane is CC#CCCOC1COC2(CCNCC2)C1.
What is the InChIKey of 3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is RWZCGFKBEMBUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-3-4-9-15-12-10-13(16-11-12)5-7-14-8-6-13/h12,14H,4-11H2,1H3.
What are the key properties of 3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane?
3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 223.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).