(3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde

C10H15NO4 — CID 89380119

IUPAC(3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde
SMILESCC(=O)[C@@H]1CC2(CN1C=O)OCCCO2
InChIInChI=1S/C10H15NO4/c1-8(13)9-5-10(6-11(9)7-12)14-3-2-4-15-10/h7,9H,2-6H2,1H3/t9-/m0/s1
InChIKeyOXTMJXYBJYQUFY-VIFPVBQESA-N
MW213.23 g/mol
LogP-0.06
Rot. Bonds2

About (3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde

(3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde (PubChem CID 89380119) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde.

Molecular Properties

Compound Name(3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde
PubChem CID89380119
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde
SMILESCC(=O)[C@@H]1CC2(CN1C=O)OCCCO2
InChIInChI=1S/C10H15NO4/c1-8(13)9-5-10(6-11(9)7-12)14-3-2-4-15-10/h7,9H,2-6H2,1H3/t9-/m0/s1
InChIKeyOXTMJXYBJYQUFY-VIFPVBQESA-N
XLogP-0.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
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 (3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde?
The IUPAC name of (3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde (CID 89380119) is (3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde.
What is the SMILES notation for (3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde?
The canonical SMILES for (3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde is CC(=O)[C@@H]1CC2(CN1C=O)OCCCO2.
What is the InChIKey of (3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde?
The InChIKey is OXTMJXYBJYQUFY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO4/c1-8(13)9-5-10(6-11(9)7-12)14-3-2-4-15-10/h7,9H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde?
(3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde has a molecular weight of 213.23 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde is sourced from PubChem (CID 89380119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).