3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one

C10H20N2O — CID 103466780

IUPAC3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one
SMILESCCC(C)(C)CN1C(=O)CNC1C
InChIInChI=1S/C10H20N2O/c1-5-10(3,4)7-12-8(2)11-6-9(12)13/h8,11H,5-7H2,1-4H3
InChIKeyQEVFPQHKWNDKKP-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.20
Rot. Bonds3

About 3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one

3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one (PubChem CID 103466780) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one
PubChem CID103466780
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one
SMILESCCC(C)(C)CN1C(=O)CNC1C
InChIInChI=1S/C10H20N2O/c1-5-10(3,4)7-12-8(2)11-6-9(12)13/h8,11H,5-7H2,1-4H3
InChIKeyQEVFPQHKWNDKKP-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one (CID 103466780) is 3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one is CCC(C)(C)CN1C(=O)CNC1C.
What is the InChIKey of 3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one?
The InChIKey is QEVFPQHKWNDKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-10(3,4)7-12-8(2)11-6-9(12)13/h8,11H,5-7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one?
3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one has a molecular weight of 184.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 103466780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).