5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione

C9H14N2O2 — CID 19078717

IUPAC5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(C(C)C)C1=O
InChIInChI=1S/C9H14N2O2/c1-4-5-11-8(12)7(6(2)3)10-9(11)13/h4,6-7H,1,5H2,2-3H3,(H,10,13)
InChIKeyUJEFFLFKMYKHJD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.75
Rot. Bonds3

About 5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione

5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 19078717) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID19078717
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(C(C)C)C1=O
InChIInChI=1S/C9H14N2O2/c1-4-5-11-8(12)7(6(2)3)10-9(11)13/h4,6-7H,1,5H2,2-3H3,(H,10,13)
InChIKeyUJEFFLFKMYKHJD-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of 5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione (CID 19078717) is 5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for 5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for 5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)NC(C(C)C)C1=O.
What is the InChIKey of 5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is UJEFFLFKMYKHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-11-8(12)7(6(2)3)10-9(11)13/h4,6-7H,1,5H2,2-3H3,(H,10,13).
What are the key properties of 5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione?
5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 19078717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).