[(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate

C11H18N2O3 — CID 54019637

IUPAC[(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate
SMILESCC(=O)ON=C1COC2(CCN(C)CC2)C1
InChIInChI=1S/C11H18N2O3/c1-9(14)16-12-10-7-11(15-8-10)3-5-13(2)6-4-11/h3-8H2,1-2H3
InChIKeyKYAPWORIIZNEKR-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.79
Rot. Bonds1

About [(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate

[(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate (PubChem CID 54019637) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is [(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate.

Molecular Properties

Compound Name[(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate
PubChem CID54019637
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name[(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate
SMILESCC(=O)ON=C1COC2(CCN(C)CC2)C1
InChIInChI=1S/C11H18N2O3/c1-9(14)16-12-10-7-11(15-8-10)3-5-13(2)6-4-11/h3-8H2,1-2H3
InChIKeyKYAPWORIIZNEKR-UHFFFAOYSA-N
XLogP0.79
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate?
The IUPAC name of [(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate (CID 54019637) is [(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate.
What is the SMILES notation for [(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate?
The canonical SMILES for [(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate is CC(=O)ON=C1COC2(CCN(C)CC2)C1.
What is the InChIKey of [(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate?
The InChIKey is KYAPWORIIZNEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9(14)16-12-10-7-11(15-8-10)3-5-13(2)6-4-11/h3-8H2,1-2H3.
What are the key properties of [(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate?
[(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate has a molecular weight of 226.28 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino] acetate is sourced from PubChem (CID 54019637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).