1-oxa-9-azaspiro[4.5]dec-3-ene

C8H13NO — CID 54402162

IUPAC1-oxa-9-azaspiro[4.5]dec-3-ene
SMILESC1=CC2(CCCNC2)OC1
InChIInChI=1S/C8H13NO/c1-3-8(7-9-5-1)4-2-6-10-8/h2,4,9H,1,3,5-7H2
InChIKeyVOELNRPOSCWWQO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.69
Rot. Bonds

About 1-oxa-9-azaspiro[4.5]dec-3-ene

1-oxa-9-azaspiro[4.5]dec-3-ene (PubChem CID 54402162) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-oxa-9-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name1-oxa-9-azaspiro[4.5]dec-3-ene
PubChem CID54402162
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-oxa-9-azaspiro[4.5]dec-3-ene
SMILESC1=CC2(CCCNC2)OC1
InChIInChI=1S/C8H13NO/c1-3-8(7-9-5-1)4-2-6-10-8/h2,4,9H,1,3,5-7H2
InChIKeyVOELNRPOSCWWQO-UHFFFAOYSA-N
XLogP0.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
1,1-dimethyl-2-oxa-9-azaspiro[4.5]decane
CID 126992193
3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane
CID 112548499
4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane
CID 91336838
(3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol
CID 178194845
1-oxa-9-azaspiro[3.6]decane
CID 118209885
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439
2,8-diazaspiro[5.6]dodec-10-ene
CID 23135409
2-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 177330076
1,8-diazaspiro[5.5]undec-3-ene
CID 23282832
2,9-diazaspiro[4.5]decane;methane
CID 143578856

Frequently Asked Questions

What is the IUPAC name of 1-oxa-9-azaspiro[4.5]dec-3-ene?
The IUPAC name of 1-oxa-9-azaspiro[4.5]dec-3-ene (CID 54402162) is 1-oxa-9-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 1-oxa-9-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 1-oxa-9-azaspiro[4.5]dec-3-ene is C1=CC2(CCCNC2)OC1.
What is the InChIKey of 1-oxa-9-azaspiro[4.5]dec-3-ene?
The InChIKey is VOELNRPOSCWWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8(7-9-5-1)4-2-6-10-8/h2,4,9H,1,3,5-7H2.
What are the key properties of 1-oxa-9-azaspiro[4.5]dec-3-ene?
1-oxa-9-azaspiro[4.5]dec-3-ene has a molecular weight of 139.20 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-9-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 54402162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).