3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione

C14H24N2O2 — CID 118968885

IUPAC3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione
SMILESCN(c1c(N(C)C(C)(C)C)c(=O)c1=O)C(C)(C)C
InChIInChI=1S/C14H24N2O2/c1-13(2,3)15(7)9-10(12(18)11(9)17)16(8)14(4,5)6/h1-8H3
InChIKeyOIONLIWOGFUHCQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.75
Rot. Bonds2

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

3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione (PubChem CID 118968885) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione
PubChem CID118968885
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione
SMILESCN(c1c(N(C)C(C)(C)C)c(=O)c1=O)C(C)(C)C
InChIInChI=1S/C14H24N2O2/c1-13(2,3)15(7)9-10(12(18)11(9)17)16(8)14(4,5)6/h1-8H3
InChIKeyOIONLIWOGFUHCQ-UHFFFAOYSA-N
XLogP1.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.75
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 3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione (CID 118968885) is 3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione is CN(c1c(N(C)C(C)(C)C)c(=O)c1=O)C(C)(C)C.
What is the InChIKey of 3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione?
The InChIKey is OIONLIWOGFUHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2,3)15(7)9-10(12(18)11(9)17)16(8)14(4,5)6/h1-8H3.
What are the key properties of 3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione?
3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione has a molecular weight of 252.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[tert-butyl(methyl)amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 118968885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).