3-formyl-N,N,3-trimethylpent-4-ynamide

C9H13NO2 — CID 15940028

IUPAC3-formyl-N,N,3-trimethylpent-4-ynamide
SMILESC#CC(C)(C=O)CC(=O)N(C)C
InChIInChI=1S/C9H13NO2/c1-5-9(2,7-11)6-8(12)10(3)4/h1,7H,6H2,2-4H3
InChIKeyFRHJRKRSTJKKML-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.30
Rot. Bonds3

About 3-formyl-N,N,3-trimethylpent-4-ynamide

3-formyl-N,N,3-trimethylpent-4-ynamide (PubChem CID 15940028) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-formyl-N,N,3-trimethylpent-4-ynamide.

Molecular Properties

Compound Name3-formyl-N,N,3-trimethylpent-4-ynamide
PubChem CID15940028
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-formyl-N,N,3-trimethylpent-4-ynamide
SMILESC#CC(C)(C=O)CC(=O)N(C)C
InChIInChI=1S/C9H13NO2/c1-5-9(2,7-11)6-8(12)10(3)4/h1,7H,6H2,2-4H3
InChIKeyFRHJRKRSTJKKML-UHFFFAOYSA-N
XLogP0.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-formyl-N,N,3-trimethylpent-4-ynamide 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 3-formyl-N,N,3-trimethylpent-4-ynamide?
The IUPAC name of 3-formyl-N,N,3-trimethylpent-4-ynamide (CID 15940028) is 3-formyl-N,N,3-trimethylpent-4-ynamide.
What is the SMILES notation for 3-formyl-N,N,3-trimethylpent-4-ynamide?
The canonical SMILES for 3-formyl-N,N,3-trimethylpent-4-ynamide is C#CC(C)(C=O)CC(=O)N(C)C.
What is the InChIKey of 3-formyl-N,N,3-trimethylpent-4-ynamide?
The InChIKey is FRHJRKRSTJKKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-5-9(2,7-11)6-8(12)10(3)4/h1,7H,6H2,2-4H3.
What are the key properties of 3-formyl-N,N,3-trimethylpent-4-ynamide?
3-formyl-N,N,3-trimethylpent-4-ynamide has a molecular weight of 167.21 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N,N,3-trimethylpent-4-ynamide is sourced from PubChem (CID 15940028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).