7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

C10H10BrNO3 — CID 102184843

IUPAC7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCON1C(=O)CCC12C=CC(=O)C(Br)=C2
InChIInChI=1S/C10H10BrNO3/c1-15-12-9(14)3-5-10(12)4-2-8(13)7(11)6-10/h2,4,6H,3,5H2,1H3
InChIKeyNOIGMZSSRYOGEJ-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.33
Rot. Bonds1

About 7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione

7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (PubChem CID 102184843) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.

Molecular Properties

Compound Name7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
PubChem CID102184843
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
SMILESCON1C(=O)CCC12C=CC(=O)C(Br)=C2
InChIInChI=1S/C10H10BrNO3/c1-15-12-9(14)3-5-10(12)4-2-8(13)7(11)6-10/h2,4,6H,3,5H2,1H3
InChIKeyNOIGMZSSRYOGEJ-UHFFFAOYSA-N
XLogP1.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

7-Fluoro-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11031120
6-Fluoro-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11106657
1-Methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11298476
1-Methoxy-7-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 11031019
7-Bromo-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 142619125
7-Acetyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 49818310
1-Methoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 102257584
1-Methoxy-4-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 102583226
(3R)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 125482399
(3S)-1-methoxy-3-methyl-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 125482402

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The IUPAC name of 7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione (CID 102184843) is 7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione.
What is the SMILES notation for 7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The canonical SMILES for 7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is CON1C(=O)CCC12C=CC(=O)C(Br)=C2.
What is the InChIKey of 7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
The InChIKey is NOIGMZSSRYOGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-15-12-9(14)3-5-10(12)4-2-8(13)7(11)6-10/h2,4,6H,3,5H2,1H3.
What are the key properties of 7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione?
7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione has a molecular weight of 272.10 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione is sourced from PubChem (CID 102184843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).