2-imino-1-methyl-5-propylideneimidazolidin-4-one

C7H11N3O — CID 152756211

IUPAC2-imino-1-methyl-5-propylideneimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=CCC)N1C
InChIInChI=1S/C7H11N3O/c1-3-4-5-6(11)9-7(8)10(5)2/h4H,3H2,1-2H3,(H2,8,9,11)
InChIKeyJJGGBWHFVLMEER-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.28
Rot. Bonds1

About 2-imino-1-methyl-5-propylideneimidazolidin-4-one

2-imino-1-methyl-5-propylideneimidazolidin-4-one (PubChem CID 152756211) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-imino-1-methyl-5-propylideneimidazolidin-4-one.

Molecular Properties

Compound Name2-imino-1-methyl-5-propylideneimidazolidin-4-one
PubChem CID152756211
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-imino-1-methyl-5-propylideneimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=CCC)N1C
InChIInChI=1S/C7H11N3O/c1-3-4-5-6(11)9-7(8)10(5)2/h4H,3H2,1-2H3,(H2,8,9,11)
InChIKeyJJGGBWHFVLMEER-UHFFFAOYSA-N
XLogP0.28
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methyl-5-propylideneimidazolidin-4-one?
The IUPAC name of 2-imino-1-methyl-5-propylideneimidazolidin-4-one (CID 152756211) is 2-imino-1-methyl-5-propylideneimidazolidin-4-one.
What is the SMILES notation for 2-imino-1-methyl-5-propylideneimidazolidin-4-one?
The canonical SMILES for 2-imino-1-methyl-5-propylideneimidazolidin-4-one is [H]/N=C1\NC(=O)C(=CCC)N1C.
What is the InChIKey of 2-imino-1-methyl-5-propylideneimidazolidin-4-one?
The InChIKey is JJGGBWHFVLMEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-4-5-6(11)9-7(8)10(5)2/h4H,3H2,1-2H3,(H2,8,9,11).
What are the key properties of 2-imino-1-methyl-5-propylideneimidazolidin-4-one?
2-imino-1-methyl-5-propylideneimidazolidin-4-one has a molecular weight of 153.19 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methyl-5-propylideneimidazolidin-4-one is sourced from PubChem (CID 152756211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).