5-hexan-2-ylimidazolidine-2,4-dione

C9H16N2O2 — CID 67782744

IUPAC5-hexan-2-ylimidazolidine-2,4-dione
SMILESCCCCC(C)C1NC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-3-4-5-6(2)7-8(12)11-9(13)10-7/h6-7H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyCFIXXPWLHFUDCY-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.02
Rot. Bonds4

About 5-hexan-2-ylimidazolidine-2,4-dione

5-hexan-2-ylimidazolidine-2,4-dione (PubChem CID 67782744) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-hexan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-hexan-2-ylimidazolidine-2,4-dione
PubChem CID67782744
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-hexan-2-ylimidazolidine-2,4-dione
SMILESCCCCC(C)C1NC(=O)NC1=O
InChIInChI=1S/C9H16N2O2/c1-3-4-5-6(2)7-8(12)11-9(13)10-7/h6-7H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyCFIXXPWLHFUDCY-UHFFFAOYSA-N
XLogP1.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hexan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-hexan-2-ylimidazolidine-2,4-dione (CID 67782744) is 5-hexan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-hexan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-hexan-2-ylimidazolidine-2,4-dione is CCCCC(C)C1NC(=O)NC1=O.
What is the InChIKey of 5-hexan-2-ylimidazolidine-2,4-dione?
The InChIKey is CFIXXPWLHFUDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-5-6(2)7-8(12)11-9(13)10-7/h6-7H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-hexan-2-ylimidazolidine-2,4-dione?
5-hexan-2-ylimidazolidine-2,4-dione has a molecular weight of 184.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 67782744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).