1-tert-butylimidazolidin-2-one

C7H14N2O — CID 2795231

IUPAC1-tert-butylimidazolidin-2-one
SMILESCC(C)(C)N1CCNC1=O
InChIInChI=1S/C7H14N2O/c1-7(2,3)9-5-4-8-6(9)10/h4-5H2,1-3H3,(H,8,10)
InChIKeyVNXBETOLLOJKCA-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.81
Rot. Bonds

About 1-tert-butylimidazolidin-2-one

1-tert-butylimidazolidin-2-one (PubChem CID 2795231) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-tert-butylimidazolidin-2-one.

Molecular Properties

Compound Name1-tert-butylimidazolidin-2-one
PubChem CID2795231
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-tert-butylimidazolidin-2-one
SMILESCC(C)(C)N1CCNC1=O
InChIInChI=1S/C7H14N2O/c1-7(2,3)9-5-4-8-6(9)10/h4-5H2,1-3H3,(H,8,10)
InChIKeyVNXBETOLLOJKCA-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazolidin-2-one?
The IUPAC name of 1-tert-butylimidazolidin-2-one (CID 2795231) is 1-tert-butylimidazolidin-2-one.
What is the SMILES notation for 1-tert-butylimidazolidin-2-one?
The canonical SMILES for 1-tert-butylimidazolidin-2-one is CC(C)(C)N1CCNC1=O.
What is the InChIKey of 1-tert-butylimidazolidin-2-one?
The InChIKey is VNXBETOLLOJKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2,3)9-5-4-8-6(9)10/h4-5H2,1-3H3,(H,8,10).
What are the key properties of 1-tert-butylimidazolidin-2-one?
1-tert-butylimidazolidin-2-one has a molecular weight of 142.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimidazolidin-2-one is sourced from PubChem (CID 2795231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).