1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one

C14H16N2O2 — CID 55078839

IUPAC1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(C#CCO)cc2)C1=O
InChIInChI=1S/C14H16N2O2/c1-15-8-9-16(14(15)18)11-13-6-4-12(5-7-13)3-2-10-17/h4-7,17H,8-11H2,1H3
InChIKeyAIOLOOAKRUIGIX-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.90
Rot. Bonds2

About 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one

1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one (PubChem CID 55078839) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one
PubChem CID55078839
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(C#CCO)cc2)C1=O
InChIInChI=1S/C14H16N2O2/c1-15-8-9-16(14(15)18)11-13-6-4-12(5-7-13)3-2-10-17/h4-7,17H,8-11H2,1H3
InChIKeyAIOLOOAKRUIGIX-UHFFFAOYSA-N
XLogP0.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
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 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one (CID 55078839) is 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2ccc(C#CCO)cc2)C1=O.
What is the InChIKey of 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one?
The InChIKey is AIOLOOAKRUIGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-8-9-16(14(15)18)11-13-6-4-12(5-7-13)3-2-10-17/h4-7,17H,8-11H2,1H3.
What are the key properties of 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one?
1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one has a molecular weight of 244.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 55078839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).