4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one

C10H16N2O — CID 176750404

IUPAC4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one
SMILESCC#CCC1CN(C(C)C)C(=O)N1
InChIInChI=1S/C10H16N2O/c1-4-5-6-9-7-12(8(2)3)10(13)11-9/h8-9H,6-7H2,1-3H3,(H,11,13)
InChIKeyHRZCULIQFPGGLO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.20
Rot. Bonds2

About 4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one

4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one (PubChem CID 176750404) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one
PubChem CID176750404
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one
SMILESCC#CCC1CN(C(C)C)C(=O)N1
InChIInChI=1S/C10H16N2O/c1-4-5-6-9-7-12(8(2)3)10(13)11-9/h8-9H,6-7H2,1-3H3,(H,11,13)
InChIKeyHRZCULIQFPGGLO-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-but-2-ynyl-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one (CID 176750404) is 4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one is CC#CCC1CN(C(C)C)C(=O)N1.
What is the InChIKey of 4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one?
The InChIKey is HRZCULIQFPGGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-6-9-7-12(8(2)3)10(13)11-9/h8-9H,6-7H2,1-3H3,(H,11,13).
What are the key properties of 4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one?
4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 176750404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).