(6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde

C9H13NO2 — CID 89263594

IUPAC(6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde
SMILESCC(=O)[C@@H]1CC2(CC2)CN1C=O
InChIInChI=1S/C9H13NO2/c1-7(12)8-4-9(2-3-9)5-10(8)6-11/h6,8H,2-5H2,1H3/t8-/m0/s1
InChIKeyHVRPXGZXVJKDPU-QMMMGPOBSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds2

About (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde

(6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde (PubChem CID 89263594) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde.

Molecular Properties

Compound Name(6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde
PubChem CID89263594
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde
SMILESCC(=O)[C@@H]1CC2(CC2)CN1C=O
InChIInChI=1S/C9H13NO2/c1-7(12)8-4-9(2-3-9)5-10(8)6-11/h6,8H,2-5H2,1H3/t8-/m0/s1
InChIKeyHVRPXGZXVJKDPU-QMMMGPOBSA-N
XLogP0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-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 (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde?
The IUPAC name of (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde (CID 89263594) is (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde.
What is the SMILES notation for (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde?
The canonical SMILES for (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde is CC(=O)[C@@H]1CC2(CC2)CN1C=O.
What is the InChIKey of (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde?
The InChIKey is HVRPXGZXVJKDPU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(12)8-4-9(2-3-9)5-10(8)6-11/h6,8H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde?
(6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde has a molecular weight of 167.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carbaldehyde is sourced from PubChem (CID 89263594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).