3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one

C9H14N2O — CID 166796228

IUPAC3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one
SMILESC=C(C)/C=C/CN1CNCC1=O
InChIInChI=1S/C9H14N2O/c1-8(2)4-3-5-11-7-10-6-9(11)12/h3-4,10H,1,5-7H2,2H3/b4-3+
InChIKeyYYLOMFINQLKDCV-ONEGZZNKSA-N
MW166.22 g/mol
LogP0.51
Rot. Bonds3

About 3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one

3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one (PubChem CID 166796228) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one
PubChem CID166796228
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one
SMILESC=C(C)/C=C/CN1CNCC1=O
InChIInChI=1S/C9H14N2O/c1-8(2)4-3-5-11-7-10-6-9(11)12/h3-4,10H,1,5-7H2,2H3/b4-3+
InChIKeyYYLOMFINQLKDCV-ONEGZZNKSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one?
The IUPAC name of 3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one (CID 166796228) is 3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one.
What is the SMILES notation for 3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one?
The canonical SMILES for 3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one is C=C(C)/C=C/CN1CNCC1=O.
What is the InChIKey of 3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one?
The InChIKey is YYLOMFINQLKDCV-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8(2)4-3-5-11-7-10-6-9(11)12/h3-4,10H,1,5-7H2,2H3/b4-3+.
What are the key properties of 3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one?
3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one has a molecular weight of 166.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one is sourced from PubChem (CID 166796228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).