1-oxa-3,8-diazaspiro[4.5]decan-2-one

C7H12N2O2 — CID 12954114

IUPAC1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCNCC2)O1
InChIInChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKeyLQGLKWIXYWZNGB-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.15
Rot. Bonds

About 1-oxa-3,8-diazaspiro[4.5]decan-2-one

1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 12954114) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID12954114
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCNCC2)O1
InChIInChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKeyLQGLKWIXYWZNGB-UHFFFAOYSA-N
XLogP-0.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944312
1-Oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944313
3-Ethyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one hydrochloride
CID 117272867
3-Methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 10329737
3-Ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20286526
3-(2,2,2-Trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 131262021
3-(2,2-Difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 172556446
N,N-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-sulfonamide
CID 3057778
Tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 10015278
4-Methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 15671039
1-Oxa-3,8-diazaspiro[4.5]decane
CID 18931192
3-Tert-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 18931283

Frequently Asked Questions

What is the IUPAC name of 1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 12954114) is 1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCNCC2)O1.
What is the InChIKey of 1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LQGLKWIXYWZNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10).
What are the key properties of 1-oxa-3,8-diazaspiro[4.5]decan-2-one?
1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 156.18 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 12954114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).