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

C7H10N2O2 — CID 20712498

IUPAC3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione
SMILESCCN(C)c1c(N)c(=O)c1=O
InChIInChI=1S/C7H10N2O2/c1-3-9(2)5-4(8)6(10)7(5)11/h3,8H2,1-2H3
InChIKeyXLQRZDPYFUZNEA-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.68
Rot. Bonds2

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

3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione (PubChem CID 20712498) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione
PubChem CID20712498
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione
SMILESCCN(C)c1c(N)c(=O)c1=O
InChIInChI=1S/C7H10N2O2/c1-3-9(2)5-4(8)6(10)7(5)11/h3,8H2,1-2H3
InChIKeyXLQRZDPYFUZNEA-UHFFFAOYSA-N
XLogP-0.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione (CID 20712498) is 3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione is CCN(C)c1c(N)c(=O)c1=O.
What is the InChIKey of 3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione?
The InChIKey is XLQRZDPYFUZNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-9(2)5-4(8)6(10)7(5)11/h3,8H2,1-2H3.
What are the key properties of 3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione?
3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione has a molecular weight of 154.17 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 20712498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).