4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C8H11NO3 — CID 19814300

IUPAC4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC=C1OC(=O)OC12CCNCC2
InChIInChI=1S/C8H11NO3/c1-6-8(12-7(10)11-6)2-4-9-5-3-8/h9H,1-5H2
InChIKeyWLCCCNSINMDGSH-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.79
Rot. Bonds

About 4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one

4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 19814300) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID19814300
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC=C1OC(=O)OC12CCNCC2
InChIInChI=1S/C8H11NO3/c1-6-8(12-7(10)11-6)2-4-9-5-3-8/h9H,1-5H2
InChIKeyWLCCCNSINMDGSH-UHFFFAOYSA-N
XLogP0.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814342
2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 143147204
5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 117103622
1-oxa-3,8-diazaspiro[4.5]dec-2-en-4-one
CID 154147627
2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one
CID 10464720
4-cyclopropyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 154006136
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087
1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one
CID 105434734
3-(2-hydroxyethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 105467641
spiro[3,5-dihydrofuro[3,4-c]pyridine-1,4'-piperidine]-4-one
CID 143650402
6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 91492916
4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594881

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 19814300) is 4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one is C=C1OC(=O)OC12CCNCC2.
What is the InChIKey of 4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is WLCCCNSINMDGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-8(12-7(10)11-6)2-4-9-5-3-8/h9H,1-5H2.
What are the key properties of 4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 169.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).