N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide

C9H15NO3 — CID 126844449

IUPACN-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide
SMILESCON(C)C(=O)C1CC2(COC2)C1
InChIInChI=1S/C9H15NO3/c1-10(12-2)8(11)7-3-9(4-7)5-13-6-9/h7H,3-6H2,1-2H3
InChIKeyKQFOJTHZEJQJLQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.43
Rot. Bonds2

About N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide

N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide (PubChem CID 126844449) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide
PubChem CID126844449
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide
SMILESCON(C)C(=O)C1CC2(COC2)C1
InChIInChI=1S/C9H15NO3/c1-10(12-2)8(11)7-3-9(4-7)5-13-6-9/h7H,3-6H2,1-2H3
InChIKeyKQFOJTHZEJQJLQ-UHFFFAOYSA-N
XLogP0.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-oxaspiro[3.3]heptane-6-carboxylate
CID 135392775
(3R)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496982
(3S)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496983
N-methoxy-N-methylcyclobutanecarboxamide
CID 45084194
benzene;N-methoxy-N-methylcyclopropanecarboxamide
CID 170770192
N-methoxy-N-methylcyclopent-3-ene-1-carboxamide
CID 12990999
6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide
CID 137407926
N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
CID 130725563
N-methoxy-N,5-dimethyloxolane-3-carboxamide
CID 114826107
methyl 2-oxaspiro[3.4]octane-6-carboxylate
CID 165356428
ethyl 2-oxaspiro[3.3]heptane-6-carboperoxoate
CID 150974203
trans-(1S,2R)-2-(hydroxymethyl)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
CID 6712533

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide (CID 126844449) is N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide is CON(C)C(=O)C1CC2(COC2)C1.
What is the InChIKey of N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide?
The InChIKey is KQFOJTHZEJQJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10(12-2)8(11)7-3-9(4-7)5-13-6-9/h7H,3-6H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide?
N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-oxaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 126844449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).