5-pentylimidazolidine-2,4-dione

C8H14N2O2 — CID 21324145

IUPAC5-pentylimidazolidine-2,4-dione
SMILESCCCCCC1NC(=O)NC1=O
InChIInChI=1S/C8H14N2O2/c1-2-3-4-5-6-7(11)10-8(12)9-6/h6H,2-5H2,1H3,(H2,9,10,11,12)
InChIKeyKEAUXAMZJMRWRO-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.77
Rot. Bonds4

About 5-pentylimidazolidine-2,4-dione

5-pentylimidazolidine-2,4-dione (PubChem CID 21324145) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-pentylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-pentylimidazolidine-2,4-dione
PubChem CID21324145
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-pentylimidazolidine-2,4-dione
SMILESCCCCCC1NC(=O)NC1=O
InChIInChI=1S/C8H14N2O2/c1-2-3-4-5-6-7(11)10-8(12)9-6/h6H,2-5H2,1H3,(H2,9,10,11,12)
InChIKeyKEAUXAMZJMRWRO-UHFFFAOYSA-N
XLogP0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-pentylimidazolidine-2,4-dione?
The IUPAC name of 5-pentylimidazolidine-2,4-dione (CID 21324145) is 5-pentylimidazolidine-2,4-dione.
What is the SMILES notation for 5-pentylimidazolidine-2,4-dione?
The canonical SMILES for 5-pentylimidazolidine-2,4-dione is CCCCCC1NC(=O)NC1=O.
What is the InChIKey of 5-pentylimidazolidine-2,4-dione?
The InChIKey is KEAUXAMZJMRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-3-4-5-6-7(11)10-8(12)9-6/h6H,2-5H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-pentylimidazolidine-2,4-dione?
5-pentylimidazolidine-2,4-dione has a molecular weight of 170.21 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentylimidazolidine-2,4-dione is sourced from PubChem (CID 21324145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).