2,2-dimethyl-5-oxopiperidine-1-carbaldehyde

C8H13NO2 — CID 138517273

IUPAC2,2-dimethyl-5-oxopiperidine-1-carbaldehyde
SMILESCC1(C)CCC(=O)CN1C=O
InChIInChI=1S/C8H13NO2/c1-8(2)4-3-7(11)5-9(8)6-10/h6H,3-5H2,1-2H3
InChIKeyKQNBRDZOICBVBF-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.59
Rot. Bonds1

About 2,2-dimethyl-5-oxopiperidine-1-carbaldehyde

2,2-dimethyl-5-oxopiperidine-1-carbaldehyde (PubChem CID 138517273) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,2-dimethyl-5-oxopiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-5-oxopiperidine-1-carbaldehyde
PubChem CID138517273
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2,2-dimethyl-5-oxopiperidine-1-carbaldehyde
SMILESCC1(C)CCC(=O)CN1C=O
InChIInChI=1S/C8H13NO2/c1-8(2)4-3-7(11)5-9(8)6-10/h6H,3-5H2,1-2H3
InChIKeyKQNBRDZOICBVBF-UHFFFAOYSA-N
XLogP0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-5-oxopiperidine-1-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 2,2-dimethyl-5-oxopiperidine-1-carbaldehyde?
The IUPAC name of 2,2-dimethyl-5-oxopiperidine-1-carbaldehyde (CID 138517273) is 2,2-dimethyl-5-oxopiperidine-1-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-5-oxopiperidine-1-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-5-oxopiperidine-1-carbaldehyde is CC1(C)CCC(=O)CN1C=O.
What is the InChIKey of 2,2-dimethyl-5-oxopiperidine-1-carbaldehyde?
The InChIKey is KQNBRDZOICBVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2)4-3-7(11)5-9(8)6-10/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-oxopiperidine-1-carbaldehyde?
2,2-dimethyl-5-oxopiperidine-1-carbaldehyde has a molecular weight of 155.20 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-oxopiperidine-1-carbaldehyde is sourced from PubChem (CID 138517273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).