1-benzyl-5-prop-2-enylimidazolidin-2-one

C13H16N2O — CID 13351723

IUPAC1-benzyl-5-prop-2-enylimidazolidin-2-one
SMILESC=CCC1CNC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-6-12-9-14-13(16)15(12)10-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2,(H,14,16)
InChIKeyPOKMQLLBLNJMCF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.16
Rot. Bonds4

About 1-benzyl-5-prop-2-enylimidazolidin-2-one

1-benzyl-5-prop-2-enylimidazolidin-2-one (PubChem CID 13351723) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-benzyl-5-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-prop-2-enylimidazolidin-2-one
PubChem CID13351723
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-benzyl-5-prop-2-enylimidazolidin-2-one
SMILESC=CCC1CNC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-6-12-9-14-13(16)15(12)10-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2,(H,14,16)
InChIKeyPOKMQLLBLNJMCF-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-prop-2-enylimidazolidin-2-one?
The IUPAC name of 1-benzyl-5-prop-2-enylimidazolidin-2-one (CID 13351723) is 1-benzyl-5-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 1-benzyl-5-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 1-benzyl-5-prop-2-enylimidazolidin-2-one is C=CCC1CNC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-prop-2-enylimidazolidin-2-one?
The InChIKey is POKMQLLBLNJMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-6-12-9-14-13(16)15(12)10-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2,(H,14,16).
What are the key properties of 1-benzyl-5-prop-2-enylimidazolidin-2-one?
1-benzyl-5-prop-2-enylimidazolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 13351723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).