4-(propoxymethyl)imidazolidin-2-one

C7H14N2O2 — CID 139889576

IUPAC4-(propoxymethyl)imidazolidin-2-one
SMILESCCCOCC1CNC(=O)N1
InChIInChI=1S/C7H14N2O2/c1-2-3-11-5-6-4-8-7(10)9-6/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKeyLGTJUMHYTIIRFS-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.09
Rot. Bonds4

About 4-(propoxymethyl)imidazolidin-2-one

4-(propoxymethyl)imidazolidin-2-one (PubChem CID 139889576) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(propoxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(propoxymethyl)imidazolidin-2-one
PubChem CID139889576
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name4-(propoxymethyl)imidazolidin-2-one
SMILESCCCOCC1CNC(=O)N1
InChIInChI=1S/C7H14N2O2/c1-2-3-11-5-6-4-8-7(10)9-6/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKeyLGTJUMHYTIIRFS-UHFFFAOYSA-N
XLogP0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(propoxymethyl)imidazolidin-2-one?
The IUPAC name of 4-(propoxymethyl)imidazolidin-2-one (CID 139889576) is 4-(propoxymethyl)imidazolidin-2-one.
What is the SMILES notation for 4-(propoxymethyl)imidazolidin-2-one?
The canonical SMILES for 4-(propoxymethyl)imidazolidin-2-one is CCCOCC1CNC(=O)N1.
What is the InChIKey of 4-(propoxymethyl)imidazolidin-2-one?
The InChIKey is LGTJUMHYTIIRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-11-5-6-4-8-7(10)9-6/h6H,2-5H2,1H3,(H2,8,9,10).
What are the key properties of 4-(propoxymethyl)imidazolidin-2-one?
4-(propoxymethyl)imidazolidin-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propoxymethyl)imidazolidin-2-one is sourced from PubChem (CID 139889576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).