5-(3-methoxypropyl)imidazolidine-2,4-dione

C7H12N2O3 — CID 81081595

IUPAC5-(3-methoxypropyl)imidazolidine-2,4-dione
SMILESCOCCCC1NC(=O)NC1=O
InChIInChI=1S/C7H12N2O3/c1-12-4-2-3-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyISXJPBSBEBVHPJ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.38
Rot. Bonds4

About 5-(3-methoxypropyl)imidazolidine-2,4-dione

5-(3-methoxypropyl)imidazolidine-2,4-dione (PubChem CID 81081595) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5-(3-methoxypropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methoxypropyl)imidazolidine-2,4-dione
PubChem CID81081595
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name5-(3-methoxypropyl)imidazolidine-2,4-dione
SMILESCOCCCC1NC(=O)NC1=O
InChIInChI=1S/C7H12N2O3/c1-12-4-2-3-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyISXJPBSBEBVHPJ-UHFFFAOYSA-N
XLogP-0.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-methoxypropyl)imidazolidine-2,4-dione (CID 81081595) is 5-(3-methoxypropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methoxypropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-methoxypropyl)imidazolidine-2,4-dione is COCCCC1NC(=O)NC1=O.
What is the InChIKey of 5-(3-methoxypropyl)imidazolidine-2,4-dione?
The InChIKey is ISXJPBSBEBVHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-12-4-2-3-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-(3-methoxypropyl)imidazolidine-2,4-dione?
5-(3-methoxypropyl)imidazolidine-2,4-dione has a molecular weight of 172.18 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 81081595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).