5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione

C10H16N2O2 — CID 4905117

IUPAC5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C10H16N2O2/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)
InChIKeyBKWBUNMIDXNXLV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.14
Rot. Bonds4

About 5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione

5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 4905117) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID4905117
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C10H16N2O2/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)
InChIKeyBKWBUNMIDXNXLV-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.14
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-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione (CID 4905117) is 5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)NC(CC(C)C)C1=O.
What is the InChIKey of 5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is BKWBUNMIDXNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14).
What are the key properties of 5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione?
5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 4905117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).