1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one

C8H14N2O2 — CID 70185751

IUPAC1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CCN(C(C)O)C1=O
InChIInChI=1S/C8H14N2O2/c1-3-4-9-5-6-10(7(2)11)8(9)12/h3,7,11H,1,4-6H2,2H3
InChIKeyDPDKOKCFBVWDQT-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.25
Rot. Bonds3

About 1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one

1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one (PubChem CID 70185751) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one
PubChem CID70185751
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CCN(C(C)O)C1=O
InChIInChI=1S/C8H14N2O2/c1-3-4-9-5-6-10(7(2)11)8(9)12/h3,7,11H,1,4-6H2,2H3
InChIKeyDPDKOKCFBVWDQT-UHFFFAOYSA-N
XLogP0.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one?
The IUPAC name of 1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one (CID 70185751) is 1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one is C=CCN1CCN(C(C)O)C1=O.
What is the InChIKey of 1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one?
The InChIKey is DPDKOKCFBVWDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-4-9-5-6-10(7(2)11)8(9)12/h3,7,11H,1,4-6H2,2H3.
What are the key properties of 1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one?
1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-3-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 70185751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).