1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione

C12H20N2O3 — CID 86962942

IUPAC1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione
SMILESCOCCCCCN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-17-8-4-2-3-7-13-11(15)9-14(12(13)16)10-5-6-10/h10H,2-9H2,1H3
InChIKeyAOWWDAGLXJEWHU-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.23
Rot. Bonds7

About 1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione

1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione (PubChem CID 86962942) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione
PubChem CID86962942
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione
SMILESCOCCCCCN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-17-8-4-2-3-7-13-11(15)9-14(12(13)16)10-5-6-10/h10H,2-9H2,1H3
InChIKeyAOWWDAGLXJEWHU-UHFFFAOYSA-N
XLogP1.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
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 1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione (CID 86962942) is 1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione is COCCCCCN1C(=O)CN(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione?
The InChIKey is AOWWDAGLXJEWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-8-4-2-3-7-13-11(15)9-14(12(13)16)10-5-6-10/h10H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione?
1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(5-methoxypentyl)imidazolidine-2,4-dione is sourced from PubChem (CID 86962942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).