1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one

C9H18N2O2 — CID 79361214

IUPAC1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(CCC(C)(C)O)C1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,13)4-5-11-7-6-10(3)8(11)12/h13H,4-7H2,1-3H3
InChIKeyCOTPLRZKDBPBPG-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.51
Rot. Bonds3

About 1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one

1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one (PubChem CID 79361214) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one
PubChem CID79361214
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(CCC(C)(C)O)C1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,13)4-5-11-7-6-10(3)8(11)12/h13H,4-7H2,1-3H3
InChIKeyCOTPLRZKDBPBPG-UHFFFAOYSA-N
XLogP0.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one (CID 79361214) is 1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one is CN1CCN(CCC(C)(C)O)C1=O.
What is the InChIKey of 1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one?
The InChIKey is COTPLRZKDBPBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,13)4-5-11-7-6-10(3)8(11)12/h13H,4-7H2,1-3H3.
What are the key properties of 1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one?
1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 79361214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).