3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione

C6H8N2O2 — CID 15273879

IUPAC3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione
SMILESCN(C)c1c(N)c(=O)c1=O
InChIInChI=1S/C6H8N2O2/c1-8(2)4-3(7)5(9)6(4)10/h7H2,1-2H3
InChIKeyCFEUDNVBUBDBGS-UHFFFAOYSA-N
MW140.14 g/mol
LogP-1.07
Rot. Bonds1

About 3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione

3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione (PubChem CID 15273879) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione
PubChem CID15273879
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione
SMILESCN(C)c1c(N)c(=O)c1=O
InChIInChI=1S/C6H8N2O2/c1-8(2)4-3(7)5(9)6(4)10/h7H2,1-2H3
InChIKeyCFEUDNVBUBDBGS-UHFFFAOYSA-N
XLogP-1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-(dimethylamino)cyclobut-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-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione (CID 15273879) is 3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione is CN(C)c1c(N)c(=O)c1=O.
What is the InChIKey of 3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione?
The InChIKey is CFEUDNVBUBDBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8(2)4-3(7)5(9)6(4)10/h7H2,1-2H3.
What are the key properties of 3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione?
3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione has a molecular weight of 140.14 g/mol, XLogP of -1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 15273879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).