(7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde

C10H17NO3 — CID 58997725

IUPAC(7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde
SMILESCN[C@@H]1CCC2(C[C@H]1C=O)OCCO2
InChIInChI=1S/C10H17NO3/c1-11-9-2-3-10(6-8(9)7-12)13-4-5-14-10/h7-9,11H,2-6H2,1H3/t8-,9+/m0/s1
InChIKeyRYKQYLMPFPUXCE-DTWKUNHWSA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds2

About (7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde

(7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde (PubChem CID 58997725) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde.

Molecular Properties

Compound Name(7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde
PubChem CID58997725
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde
SMILESCN[C@@H]1CCC2(C[C@H]1C=O)OCCO2
InChIInChI=1S/C10H17NO3/c1-11-9-2-3-10(6-8(9)7-12)13-4-5-14-10/h7-9,11H,2-6H2,1H3/t8-,9+/m0/s1
InChIKeyRYKQYLMPFPUXCE-DTWKUNHWSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde?
The IUPAC name of (7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde (CID 58997725) is (7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde.
What is the SMILES notation for (7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde?
The canonical SMILES for (7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde is CN[C@@H]1CCC2(C[C@H]1C=O)OCCO2.
What is the InChIKey of (7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde?
The InChIKey is RYKQYLMPFPUXCE-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11-9-2-3-10(6-8(9)7-12)13-4-5-14-10/h7-9,11H,2-6H2,1H3/t8-,9+/m0/s1.
What are the key properties of (7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde?
(7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-8-(methylamino)-1,4-dioxaspiro[4.5]decane-7-carbaldehyde is sourced from PubChem (CID 58997725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).