1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one

C9H14N2O2 — CID 70457203

IUPAC1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CCN(CC(=C)O)C1=O
InChIInChI=1S/C9H14N2O2/c1-3-4-10-5-6-11(9(10)13)7-8(2)12/h3,12H,1-2,4-7H2
InChIKeyBFWNNPVFCZISAX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.98
Rot. Bonds4

About 1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one

1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one (PubChem CID 70457203) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one
PubChem CID70457203
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CCN(CC(=C)O)C1=O
InChIInChI=1S/C9H14N2O2/c1-3-4-10-5-6-11(9(10)13)7-8(2)12/h3,12H,1-2,4-7H2
InChIKeyBFWNNPVFCZISAX-UHFFFAOYSA-N
XLogP0.98
TPSA43.78 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one?
The IUPAC name of 1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one (CID 70457203) is 1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one is C=CCN1CCN(CC(=C)O)C1=O.
What is the InChIKey of 1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one?
The InChIKey is BFWNNPVFCZISAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-10-5-6-11(9(10)13)7-8(2)12/h3,12H,1-2,4-7H2.
What are the key properties of 1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one?
1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyprop-2-enyl)-3-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 70457203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).