6-(aminomethoxymethyl)spiro[3.3]heptan-2-one

C9H15NO2 — CID 143443700

IUPAC6-(aminomethoxymethyl)spiro[3.3]heptan-2-one
SMILESNCOCC1CC2(CC(=O)C2)C1
InChIInChI=1S/C9H15NO2/c10-6-12-5-7-1-9(2-7)3-8(11)4-9/h7H,1-6,10H2
InChIKeyKFWZXSOJVDTYIT-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.68
Rot. Bonds3

About 6-(aminomethoxymethyl)spiro[3.3]heptan-2-one

6-(aminomethoxymethyl)spiro[3.3]heptan-2-one (PubChem CID 143443700) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 6-(aminomethoxymethyl)spiro[3.3]heptan-2-one.

Molecular Properties

Compound Name6-(aminomethoxymethyl)spiro[3.3]heptan-2-one
PubChem CID143443700
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name6-(aminomethoxymethyl)spiro[3.3]heptan-2-one
SMILESNCOCC1CC2(CC(=O)C2)C1
InChIInChI=1S/C9H15NO2/c10-6-12-5-7-1-9(2-7)3-8(11)4-9/h7H,1-6,10H2
InChIKeyKFWZXSOJVDTYIT-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethoxymethyl)spiro[3.3]heptan-2-one?
The IUPAC name of 6-(aminomethoxymethyl)spiro[3.3]heptan-2-one (CID 143443700) is 6-(aminomethoxymethyl)spiro[3.3]heptan-2-one.
What is the SMILES notation for 6-(aminomethoxymethyl)spiro[3.3]heptan-2-one?
The canonical SMILES for 6-(aminomethoxymethyl)spiro[3.3]heptan-2-one is NCOCC1CC2(CC(=O)C2)C1.
What is the InChIKey of 6-(aminomethoxymethyl)spiro[3.3]heptan-2-one?
The InChIKey is KFWZXSOJVDTYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c10-6-12-5-7-1-9(2-7)3-8(11)4-9/h7H,1-6,10H2.
What are the key properties of 6-(aminomethoxymethyl)spiro[3.3]heptan-2-one?
6-(aminomethoxymethyl)spiro[3.3]heptan-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethoxymethyl)spiro[3.3]heptan-2-one is sourced from PubChem (CID 143443700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).