3-prop-2-enyl-5-propylimidazolidine-2,4-dione

C9H14N2O2 — CID 170447663

IUPAC3-prop-2-enyl-5-propylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(CCC)C1=O
InChIInChI=1S/C9H14N2O2/c1-3-5-7-8(12)11(6-4-2)9(13)10-7/h4,7H,2-3,5-6H2,1H3,(H,10,13)
InChIKeyOPZJKBQCHGPCBG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.89
Rot. Bonds4

About 3-prop-2-enyl-5-propylimidazolidine-2,4-dione

3-prop-2-enyl-5-propylimidazolidine-2,4-dione (PubChem CID 170447663) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-prop-2-enyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-prop-2-enyl-5-propylimidazolidine-2,4-dione
PubChem CID170447663
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-prop-2-enyl-5-propylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(CCC)C1=O
InChIInChI=1S/C9H14N2O2/c1-3-5-7-8(12)11(6-4-2)9(13)10-7/h4,7H,2-3,5-6H2,1H3,(H,10,13)
InChIKeyOPZJKBQCHGPCBG-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.89
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 3-prop-2-enyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-prop-2-enyl-5-propylimidazolidine-2,4-dione (CID 170447663) is 3-prop-2-enyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-prop-2-enyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-prop-2-enyl-5-propylimidazolidine-2,4-dione is C=CCN1C(=O)NC(CCC)C1=O.
What is the InChIKey of 3-prop-2-enyl-5-propylimidazolidine-2,4-dione?
The InChIKey is OPZJKBQCHGPCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-7-8(12)11(6-4-2)9(13)10-7/h4,7H,2-3,5-6H2,1H3,(H,10,13).
What are the key properties of 3-prop-2-enyl-5-propylimidazolidine-2,4-dione?
3-prop-2-enyl-5-propylimidazolidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 170447663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).