1-tert-butyl-4-ethylimidazolidin-2-one

C9H18N2O — CID 146336737

IUPAC1-tert-butyl-4-ethylimidazolidin-2-one
SMILESCCC1CN(C(C)(C)C)C(=O)N1
InChIInChI=1S/C9H18N2O/c1-5-7-6-11(8(12)10-7)9(2,3)4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyKBNHJFPTIBTCKU-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds1

About 1-tert-butyl-4-ethylimidazolidin-2-one

1-tert-butyl-4-ethylimidazolidin-2-one (PubChem CID 146336737) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylimidazolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-ethylimidazolidin-2-one
PubChem CID146336737
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-tert-butyl-4-ethylimidazolidin-2-one
SMILESCCC1CN(C(C)(C)C)C(=O)N1
InChIInChI=1S/C9H18N2O/c1-5-7-6-11(8(12)10-7)9(2,3)4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyKBNHJFPTIBTCKU-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethylimidazolidin-2-one?
The IUPAC name of 1-tert-butyl-4-ethylimidazolidin-2-one (CID 146336737) is 1-tert-butyl-4-ethylimidazolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-ethylimidazolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-ethylimidazolidin-2-one is CCC1CN(C(C)(C)C)C(=O)N1.
What is the InChIKey of 1-tert-butyl-4-ethylimidazolidin-2-one?
The InChIKey is KBNHJFPTIBTCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-7-6-11(8(12)10-7)9(2,3)4/h7H,5-6H2,1-4H3,(H,10,12).
What are the key properties of 1-tert-butyl-4-ethylimidazolidin-2-one?
1-tert-butyl-4-ethylimidazolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethylimidazolidin-2-one is sourced from PubChem (CID 146336737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).