N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide

C9H15NO2 — CID 130725563

IUPACN-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
SMILESCON(C)C(=O)C1CC12CCC2
InChIInChI=1S/C9H15NO2/c1-10(12-2)8(11)7-6-9(7)4-3-5-9/h7H,3-6H2,1-2H3
InChIKeyGXQSXTLGYZZBJH-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.20
Rot. Bonds2

About N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide

N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide (PubChem CID 130725563) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
PubChem CID130725563
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
SMILESCON(C)C(=O)C1CC12CCC2
InChIInChI=1S/C9H15NO2/c1-10(12-2)8(11)7-6-9(7)4-3-5-9/h7H,3-6H2,1-2H3
InChIKeyGXQSXTLGYZZBJH-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide (CID 130725563) is N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide is CON(C)C(=O)C1CC12CCC2.
What is the InChIKey of N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide?
The InChIKey is GXQSXTLGYZZBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10(12-2)8(11)7-6-9(7)4-3-5-9/h7H,3-6H2,1-2H3.
What are the key properties of N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide?
N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 130725563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).