2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide

C9H15NO2 — CID 19870813

IUPAC2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide
SMILESCC1(C)C(=O)C(C)(C)C1C(N)=O
InChIInChI=1S/C9H15NO2/c1-8(2)5(6(10)11)9(3,4)7(8)12/h5H,1-4H3,(H2,10,11)
InChIKeyCLVXUTBVJKPMNW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.72
Rot. Bonds1

About 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide

2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide (PubChem CID 19870813) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide
PubChem CID19870813
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide
SMILESCC1(C)C(=O)C(C)(C)C1C(N)=O
InChIInChI=1S/C9H15NO2/c1-8(2)5(6(10)11)9(3,4)7(8)12/h5H,1-4H3,(H2,10,11)
InChIKeyCLVXUTBVJKPMNW-UHFFFAOYSA-N
XLogP0.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide 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 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide?
The IUPAC name of 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide (CID 19870813) is 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide is CC1(C)C(=O)C(C)(C)C1C(N)=O.
What is the InChIKey of 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide?
The InChIKey is CLVXUTBVJKPMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(2)5(6(10)11)9(3,4)7(8)12/h5H,1-4H3,(H2,10,11).
What are the key properties of 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide?
2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 19870813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).