4-imino-1-oxa-3-azaspiro[4.5]decan-2-one

C8H12N2O2 — CID 137346492

IUPAC4-imino-1-oxa-3-azaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)OC12CCCCC2
InChIInChI=1S/C8H12N2O2/c9-6-8(12-7(11)10-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11)
InChIKeyUWSODYVSKWWDFJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.41
Rot. Bonds

About 4-imino-1-oxa-3-azaspiro[4.5]decan-2-one

4-imino-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 137346492) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-imino-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID137346492
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-imino-1-oxa-3-azaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)OC12CCCCC2
InChIInChI=1S/C8H12N2O2/c9-6-8(12-7(11)10-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11)
InChIKeyUWSODYVSKWWDFJ-UHFFFAOYSA-N
XLogP1.41
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-1-oxa-3-azaspiro[4.5]decan-2-one (CID 137346492) is 4-imino-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-1-oxa-3-azaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)OC12CCCCC2.
What is the InChIKey of 4-imino-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is UWSODYVSKWWDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-6-8(12-7(11)10-6)4-2-1-3-5-8/h1-5H2,(H2,9,10,11).
What are the key properties of 4-imino-1-oxa-3-azaspiro[4.5]decan-2-one?
4-imino-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 168.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 137346492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).