3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione

C9H16N2O2 — CID 43398137

IUPAC3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCCN1C(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-11-8(12)7(5-6(2)3)10-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKeyBIDHNLAVFFAFAZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.97
Rot. Bonds3

About 3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione

3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 43398137) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID43398137
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCCN1C(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-11-8(12)7(5-6(2)3)10-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKeyBIDHNLAVFFAFAZ-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
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 3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 43398137) is 3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione is CCN1C(=O)NC(CC(C)C)C1=O.
What is the InChIKey of 3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is BIDHNLAVFFAFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-11-8(12)7(5-6(2)3)10-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 184.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43398137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).