1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one

C13H24N2O2 — CID 3828759

IUPAC1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)10(16)14-7-8-15(9-14)11(17)13(4,5)6/h7-9H2,1-6H3
InChIKeyKSVZCTPBMALARH-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.71
Rot. Bonds

About 1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 3828759) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID3828759
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)10(16)14-7-8-15(9-14)11(17)13(4,5)6/h7-9H2,1-6H3
InChIKeyKSVZCTPBMALARH-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one (CID 3828759) is 1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KSVZCTPBMALARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)10(16)14-7-8-15(9-14)11(17)13(4,5)6/h7-9H2,1-6H3.
What are the key properties of 1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropanoyl)imidazolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 3828759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).