N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide

C9H15NO3 — CID 130684582

IUPACN-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCONC(=O)C1CC12CCOCC2
InChIInChI=1S/C9H15NO3/c1-12-10-8(11)7-6-9(7)2-4-13-5-3-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyFKZGLNDAXLLZKJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.48
Rot. Bonds2

About N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide

N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 130684582) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID130684582
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCONC(=O)C1CC12CCOCC2
InChIInChI=1S/C9H15NO3/c1-12-10-8(11)7-6-9(7)2-4-13-5-3-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyFKZGLNDAXLLZKJ-UHFFFAOYSA-N
XLogP0.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 95972380
methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
CID 130878031
methyl 4-[(1R)-1-[[(2R)-6-oxaspiro[2.5]octane-2-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 99787569
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492
methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
CID 104706034
(2S)-N'-acetylspiro[2.3]hexane-2-carbohydrazide
CID 840558
6-oxaspiro[2.5]octan-2-ylmethyl acetate
CID 131042123
methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 126791141
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940

Frequently Asked Questions

What is the IUPAC name of N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide (CID 130684582) is N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide is CONC(=O)C1CC12CCOCC2.
What is the InChIKey of N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is FKZGLNDAXLLZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-10-8(11)7-6-9(7)2-4-13-5-3-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide?
N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 130684582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).