3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione

C10H16N2O2 — CID 20645104

IUPAC3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione
SMILESCC(C)N(C)c1c(N(C)C)c(=O)c1=O
InChIInChI=1S/C10H16N2O2/c1-6(2)12(5)8-7(11(3)4)9(13)10(8)14/h6H,1-5H3
InChIKeyGNPMGGMTIHNCPA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.19
Rot. Bonds3

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

3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione (PubChem CID 20645104) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione
PubChem CID20645104
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione
SMILESCC(C)N(C)c1c(N(C)C)c(=O)c1=O
InChIInChI=1S/C10H16N2O2/c1-6(2)12(5)8-7(11(3)4)9(13)10(8)14/h6H,1-5H3
InChIKeyGNPMGGMTIHNCPA-UHFFFAOYSA-N
XLogP0.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
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-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione (CID 20645104) is 3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione is CC(C)N(C)c1c(N(C)C)c(=O)c1=O.
What is the InChIKey of 3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione?
The InChIKey is GNPMGGMTIHNCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)12(5)8-7(11(3)4)9(13)10(8)14/h6H,1-5H3.
What are the key properties of 3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione?
3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione has a molecular weight of 196.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 20645104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).