2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione

C14H23NO4 — CID 11108396

IUPAC2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
SMILESCC(C)OC1=C(OC(C)C)C(=O)C(C)(N(C)C)C1=O
InChIInChI=1S/C14H23NO4/c1-8(2)18-10-11(19-9(3)4)13(17)14(5,12(10)16)15(6)7/h8-9H,1-7H3
InChIKeyRJFRVNAALLFGIB-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.52
Rot. Bonds5

About 2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione

2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione (PubChem CID 11108396) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
PubChem CID11108396
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
SMILESCC(C)OC1=C(OC(C)C)C(=O)C(C)(N(C)C)C1=O
InChIInChI=1S/C14H23NO4/c1-8(2)18-10-11(19-9(3)4)13(17)14(5,12(10)16)15(6)7/h8-9H,1-7H3
InChIKeyRJFRVNAALLFGIB-UHFFFAOYSA-N
XLogP1.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The IUPAC name of 2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione (CID 11108396) is 2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The canonical SMILES for 2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione is CC(C)OC1=C(OC(C)C)C(=O)C(C)(N(C)C)C1=O.
What is the InChIKey of 2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The InChIKey is RJFRVNAALLFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-8(2)18-10-11(19-9(3)4)13(17)14(5,12(10)16)15(6)7/h8-9H,1-7H3.
What are the key properties of 2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione has a molecular weight of 269.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 11108396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).