2-imino-3-methyl-1-propylimidazolidin-4-one

C7H13N3O — CID 45088423

IUPAC2-imino-3-methyl-1-propylimidazolidin-4-one
SMILES[H]/N=C1/N(CCC)CC(=O)N1C
InChIInChI=1S/C7H13N3O/c1-3-4-10-5-6(11)9(2)7(10)8/h8H,3-5H2,1-2H3/b8-7+
InChIKeyRJXJOXSIACXELG-BQYQJAHWSA-N
MW155.20 g/mol
LogP0.11
Rot. Bonds2

About 2-imino-3-methyl-1-propylimidazolidin-4-one

2-imino-3-methyl-1-propylimidazolidin-4-one (PubChem CID 45088423) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-imino-3-methyl-1-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-methyl-1-propylimidazolidin-4-one
PubChem CID45088423
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-imino-3-methyl-1-propylimidazolidin-4-one
SMILES[H]/N=C1/N(CCC)CC(=O)N1C
InChIInChI=1S/C7H13N3O/c1-3-4-10-5-6(11)9(2)7(10)8/h8H,3-5H2,1-2H3/b8-7+
InChIKeyRJXJOXSIACXELG-BQYQJAHWSA-N
XLogP0.11
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-3-methyl-1-propylimidazolidin-4-one?
The IUPAC name of 2-imino-3-methyl-1-propylimidazolidin-4-one (CID 45088423) is 2-imino-3-methyl-1-propylimidazolidin-4-one.
What is the SMILES notation for 2-imino-3-methyl-1-propylimidazolidin-4-one?
The canonical SMILES for 2-imino-3-methyl-1-propylimidazolidin-4-one is [H]/N=C1/N(CCC)CC(=O)N1C.
What is the InChIKey of 2-imino-3-methyl-1-propylimidazolidin-4-one?
The InChIKey is RJXJOXSIACXELG-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-4-10-5-6(11)9(2)7(10)8/h8H,3-5H2,1-2H3/b8-7+.
What are the key properties of 2-imino-3-methyl-1-propylimidazolidin-4-one?
2-imino-3-methyl-1-propylimidazolidin-4-one has a molecular weight of 155.20 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methyl-1-propylimidazolidin-4-one is sourced from PubChem (CID 45088423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).