4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one

C11H19N3O2 — CID 138391425

IUPAC4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1C1CCC(C)O1
InChIInChI=1S/C11H19N3O2/c1-3-6-14-9(10(12)13-11(14)15)8-5-4-7(2)16-8/h7-9H,3-6H2,1-2H3,(H2,12,13,15)
InChIKeyWWNDFNFPCMDTJY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.33
Rot. Bonds3

About 4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one

4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one (PubChem CID 138391425) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one
PubChem CID138391425
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1C1CCC(C)O1
InChIInChI=1S/C11H19N3O2/c1-3-6-14-9(10(12)13-11(14)15)8-5-4-7(2)16-8/h7-9H,3-6H2,1-2H3,(H2,12,13,15)
InChIKeyWWNDFNFPCMDTJY-UHFFFAOYSA-N
XLogP1.33
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclobutyl-4-imino-1-propylimidazolidin-2-one
CID 138391173
4-imino-5-(3-methylcyclohexyl)-1-propylimidazolidin-2-one
CID 138388397
4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one
CID 138388584
4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one
CID 138388758
5-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-imino-1-propylimidazolidin-2-one
CID 138389112
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-imino-1-propylimidazolidin-2-one
CID 138388646
5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one
CID 138389691
4-imino-5-(4-methylcyclohexyl)-1-propan-2-ylimidazolidin-2-one
CID 138390571
5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione
CID 140537494
5-(2-bromo-4-methylphenyl)-4-imino-1-propylimidazolidin-2-one
CID 138391346
4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one
CID 138388448
1-ethyl-4-imino-5-pentylimidazolidin-2-one
CID 138389280

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one?
The IUPAC name of 4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one (CID 138391425) is 4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one.
What is the SMILES notation for 4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one?
The canonical SMILES for 4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CCC)C1C1CCC(C)O1.
What is the InChIKey of 4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one?
The InChIKey is WWNDFNFPCMDTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-6-14-9(10(12)13-11(14)15)8-5-4-7(2)16-8/h7-9H,3-6H2,1-2H3,(H2,12,13,15).
What are the key properties of 4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one?
4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one is sourced from PubChem (CID 138391425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).