2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one

C8H13N3O2 — CID 143147204

IUPAC2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESC/N=C1/NC(=O)C2(CCNCC2)O1
InChIInChI=1S/C8H13N3O2/c1-9-7-11-6(12)8(13-7)2-4-10-5-3-8/h10H,2-5H2,1H3,(H,9,11,12)
InChIKeyZDIUGVYEMUIENL-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.76
Rot. Bonds

About 2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one

2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one (PubChem CID 143147204) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one
PubChem CID143147204
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESC/N=C1/NC(=O)C2(CCNCC2)O1
InChIInChI=1S/C8H13N3O2/c1-9-7-11-6(12)8(13-7)2-4-10-5-3-8/h10H,2-5H2,1H3,(H,9,11,12)
InChIKeyZDIUGVYEMUIENL-UHFFFAOYSA-N
XLogP-0.76
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 19814300
2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one
CID 10464720
4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814342
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087
1-oxa-3,8-diazaspiro[4.5]dec-2-en-4-one
CID 154147627
6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 91492916
(5Z)-4-methylimino-5-propylidene-3,9-diazaspiro[5.5]undecan-2-one
CID 145360718
1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one
CID 105434734
3,9-diazaspiro[5.5]undecane-2,5-dione
CID 59929903
6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one
CID 170380628
4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 172575301
3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 131262021

Frequently Asked Questions

What is the IUPAC name of 2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one (CID 143147204) is 2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one is C/N=C1/NC(=O)C2(CCNCC2)O1.
What is the InChIKey of 2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The InChIKey is ZDIUGVYEMUIENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-7-11-6(12)8(13-7)2-4-10-5-3-8/h10H,2-5H2,1H3,(H,9,11,12).
What are the key properties of 2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one has a molecular weight of 183.21 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 143147204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).