(8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde

C10H15NO4 — CID 147304752

IUPAC(8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde
SMILESCCC(=O)N1CC2(C[C@H]1C=O)OCCO2
InChIInChI=1S/C10H15NO4/c1-2-9(13)11-7-10(5-8(11)6-12)14-3-4-15-10/h6,8H,2-5,7H2,1H3/t8-/m0/s1
InChIKeyCWUCBCYHMWDCHU-QMMMGPOBSA-N
MW213.23 g/mol
LogP-0.06
Rot. Bonds2

About (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde

(8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde (PubChem CID 147304752) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde.

Molecular Properties

Compound Name(8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde
PubChem CID147304752
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde
SMILESCCC(=O)N1CC2(C[C@H]1C=O)OCCO2
InChIInChI=1S/C10H15NO4/c1-2-9(13)11-7-10(5-8(11)6-12)14-3-4-15-10/h6,8H,2-5,7H2,1H3/t8-/m0/s1
InChIKeyCWUCBCYHMWDCHU-QMMMGPOBSA-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'}

Analyze (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde?
The IUPAC name of (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde (CID 147304752) is (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde.
What is the SMILES notation for (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde?
The canonical SMILES for (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde is CCC(=O)N1CC2(C[C@H]1C=O)OCCO2.
What is the InChIKey of (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde?
The InChIKey is CWUCBCYHMWDCHU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-9(13)11-7-10(5-8(11)6-12)14-3-4-15-10/h6,8H,2-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde?
(8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-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 (8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde is sourced from PubChem (CID 147304752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).