4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one

C7H10N2O2 — CID 175889872

IUPAC4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one
SMILESCC#CC1NC(=O)NC1CO
InChIInChI=1S/C7H10N2O2/c1-2-3-5-6(4-10)9-7(11)8-5/h5-6,10H,4H2,1H3,(H2,8,9,11)
InChIKeyJKNFQNYPHIHGNW-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.95
Rot. Bonds1

About 4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one

4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one (PubChem CID 175889872) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one
PubChem CID175889872
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one
SMILESCC#CC1NC(=O)NC1CO
InChIInChI=1S/C7H10N2O2/c1-2-3-5-6(4-10)9-7(11)8-5/h5-6,10H,4H2,1H3,(H2,8,9,11)
InChIKeyJKNFQNYPHIHGNW-UHFFFAOYSA-N
XLogP-0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one (CID 175889872) is 4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one is CC#CC1NC(=O)NC1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one?
The InChIKey is JKNFQNYPHIHGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-5-6(4-10)9-7(11)8-5/h5-6,10H,4H2,1H3,(H2,8,9,11).
What are the key properties of 4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one?
4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one has a molecular weight of 154.17 g/mol, XLogP of -0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-prop-1-ynylimidazolidin-2-one is sourced from PubChem (CID 175889872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).