1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one

C11H14N2O3 — CID 101156960

IUPAC1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one
SMILESCON=C1C=CC2(C=C1)CCC(=O)N2OC
InChIInChI=1S/C11H14N2O3/c1-15-12-9-3-6-11(7-4-9)8-5-10(14)13(11)16-2/h3-4,6-7H,5,8H2,1-2H3/b12-9-
InChIKeyHTXOTTLGLYWXEO-XFXZXTDPSA-N
MW222.24 g/mol
LogP1.04
Rot. Bonds2

About 1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one

1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one (PubChem CID 101156960) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one.

Molecular Properties

Compound Name1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one
PubChem CID101156960
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one
SMILESCON=C1C=CC2(C=C1)CCC(=O)N2OC
InChIInChI=1S/C11H14N2O3/c1-15-12-9-3-6-11(7-4-9)8-5-10(14)13(11)16-2/h3-4,6-7H,5,8H2,1-2H3/b12-9-
InChIKeyHTXOTTLGLYWXEO-XFXZXTDPSA-N
XLogP1.04
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 118963012
1-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 89405333
1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione
CID 11673421
(5R)-6-methoxy-1-phenylmethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101391074
(4E)-4-methoxyimino-2-methylcyclohexa-2,5-dien-1-one
CID 12654066
(3S,5R)-1-methoxy-3-methyl-6-propan-2-yl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101235403
1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 71687505
4,4-dimethoxycyclohex-2-en-1-one
CID 134922373
8-[(9-ethylcarbazol-3-yl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
CID 71687450
1-methoxyazepane-2,7-dione
CID 134892605
(E)-N-methoxycyclopent-2-en-1-imine
CID 89026558
cyclohexa-2,5-diene-1,4-dione;methoxymethane
CID 66691489

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one?
The IUPAC name of 1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one (CID 101156960) is 1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one.
What is the SMILES notation for 1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one?
The canonical SMILES for 1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one is CON=C1C=CC2(C=C1)CCC(=O)N2OC.
What is the InChIKey of 1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one?
The InChIKey is HTXOTTLGLYWXEO-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-12-9-3-6-11(7-4-9)8-5-10(14)13(11)16-2/h3-4,6-7H,5,8H2,1-2H3/b12-9-.
What are the key properties of 1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one?
1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one has a molecular weight of 222.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8-methoxyimino-1-azaspiro[4.5]deca-6,9-dien-2-one is sourced from PubChem (CID 101156960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).