4-methylidene-1-propan-2-ylimidazolidin-2-one

C7H12N2O — CID 58216426

IUPAC4-methylidene-1-propan-2-ylimidazolidin-2-one
SMILESC=C1CN(C(C)C)C(=O)N1
InChIInChI=1S/C7H12N2O/c1-5(2)9-4-6(3)8-7(9)10/h5H,3-4H2,1-2H3,(H,8,10)
InChIKeyWRUXBJQRVDATAP-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.93
Rot. Bonds1

About 4-methylidene-1-propan-2-ylimidazolidin-2-one

4-methylidene-1-propan-2-ylimidazolidin-2-one (PubChem CID 58216426) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-methylidene-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-methylidene-1-propan-2-ylimidazolidin-2-one
PubChem CID58216426
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-methylidene-1-propan-2-ylimidazolidin-2-one
SMILESC=C1CN(C(C)C)C(=O)N1
InChIInChI=1S/C7H12N2O/c1-5(2)9-4-6(3)8-7(9)10/h5H,3-4H2,1-2H3,(H,8,10)
InChIKeyWRUXBJQRVDATAP-UHFFFAOYSA-N
XLogP0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-methylidene-1-propan-2-ylimidazolidin-2-one (CID 58216426) is 4-methylidene-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-methylidene-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-methylidene-1-propan-2-ylimidazolidin-2-one is C=C1CN(C(C)C)C(=O)N1.
What is the InChIKey of 4-methylidene-1-propan-2-ylimidazolidin-2-one?
The InChIKey is WRUXBJQRVDATAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)9-4-6(3)8-7(9)10/h5H,3-4H2,1-2H3,(H,8,10).
What are the key properties of 4-methylidene-1-propan-2-ylimidazolidin-2-one?
4-methylidene-1-propan-2-ylimidazolidin-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 58216426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).