3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione

C10H15NO2 — CID 58557785

IUPAC3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
SMILESCCN(C)c1c(C(C)C)c(=O)c1=O
InChIInChI=1S/C10H15NO2/c1-5-11(4)8-7(6(2)3)9(12)10(8)13/h6H,5H2,1-4H3
InChIKeyQTZXRIWDKXOIPI-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.86
Rot. Bonds3

About 3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione

3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione (PubChem CID 58557785) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
PubChem CID58557785
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione
SMILESCCN(C)c1c(C(C)C)c(=O)c1=O
InChIInChI=1S/C10H15NO2/c1-5-11(4)8-7(6(2)3)9(12)10(8)13/h6H,5H2,1-4H3
InChIKeyQTZXRIWDKXOIPI-UHFFFAOYSA-N
XLogP0.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione 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-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione (CID 58557785) is 3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione is CCN(C)c1c(C(C)C)c(=O)c1=O.
What is the InChIKey of 3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione?
The InChIKey is QTZXRIWDKXOIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-11(4)8-7(6(2)3)9(12)10(8)13/h6H,5H2,1-4H3.
What are the key properties of 3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione?
3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione has a molecular weight of 181.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-4-propan-2-ylcyclobut-3-ene-1,2-dione is sourced from PubChem (CID 58557785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).