1-tert-butyl-4-methylideneimidazolidin-2-one

C8H14N2O — CID 58573366

IUPAC1-tert-butyl-4-methylideneimidazolidin-2-one
SMILESC=C1CN(C(C)(C)C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-6-5-10(7(11)9-6)8(2,3)4/h1,5H2,2-4H3,(H,9,11)
InChIKeyMTILGERYIADXNZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.32
Rot. Bonds

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

1-tert-butyl-4-methylideneimidazolidin-2-one (PubChem CID 58573366) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-tert-butyl-4-methylideneimidazolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-methylideneimidazolidin-2-one
PubChem CID58573366
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-tert-butyl-4-methylideneimidazolidin-2-one
SMILESC=C1CN(C(C)(C)C)C(=O)N1
InChIInChI=1S/C8H14N2O/c1-6-5-10(7(11)9-6)8(2,3)4/h1,5H2,2-4H3,(H,9,11)
InChIKeyMTILGERYIADXNZ-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Prop-1-en-2-ylimidazolidin-2-one
CID 53982317
1,3-Bis(prop-1-en-2-yl)imidazolidin-2-one
CID 54121505
N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide
CID 58171862
5-Methylidene-1-propan-2-ylimidazolidin-2-one
CID 58216404
4-Methylidene-1-propan-2-ylimidazolidin-2-one
CID 58216426
1-Methyl-4-methylideneimidazolidin-2-one
CID 59557971
1-Methyl-5-methylideneimidazolidin-2-one
CID 67487841
1-(2-Aminoprop-2-enyl)imidazolidin-2-one
CID 69778504
1-(2-Aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one
CID 70457522
4-[[Bis(prop-2-enyl)amino]methylidene]imidazolidin-2-one
CID 70559945
N-ethyl-3,5,5-trimethyl-4-methylideneimidazolidine-1-carboxamide
CID 89041911
1-Ethyl-4-methylideneimidazolidin-2-one
CID 89327830

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylideneimidazolidin-2-one?
The IUPAC name of 1-tert-butyl-4-methylideneimidazolidin-2-one (CID 58573366) is 1-tert-butyl-4-methylideneimidazolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-methylideneimidazolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-methylideneimidazolidin-2-one is C=C1CN(C(C)(C)C)C(=O)N1.
What is the InChIKey of 1-tert-butyl-4-methylideneimidazolidin-2-one?
The InChIKey is MTILGERYIADXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-5-10(7(11)9-6)8(2,3)4/h1,5H2,2-4H3,(H,9,11).
What are the key properties of 1-tert-butyl-4-methylideneimidazolidin-2-one?
1-tert-butyl-4-methylideneimidazolidin-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylideneimidazolidin-2-one is sourced from PubChem (CID 58573366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).