5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one

C11H16N2O — CID 121445915

IUPAC5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one
SMILESC/C=C\C(=C/CC)c1cn(C)c(=O)[nH]1
InChIInChI=1S/C11H16N2O/c1-4-6-9(7-5-2)10-8-13(3)11(14)12-10/h4,6-8H,5H2,1-3H3,(H,12,14)/b6-4-,9-7+
InChIKeyRYPLJDIJKSTYAA-UNQQQNFISA-N
MW192.26 g/mol
LogP2.08
Rot. Bonds3

About 5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one

5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one (PubChem CID 121445915) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one
PubChem CID121445915
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one
SMILESC/C=C\C(=C/CC)c1cn(C)c(=O)[nH]1
InChIInChI=1S/C11H16N2O/c1-4-6-9(7-5-2)10-8-13(3)11(14)12-10/h4,6-8H,5H2,1-3H3,(H,12,14)/b6-4-,9-7+
InChIKeyRYPLJDIJKSTYAA-UNQQQNFISA-N
XLogP2.08
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.08
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 5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one?
The IUPAC name of 5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one (CID 121445915) is 5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one.
What is the SMILES notation for 5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one?
The canonical SMILES for 5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one is C/C=C\C(=C/CC)c1cn(C)c(=O)[nH]1.
What is the InChIKey of 5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one?
The InChIKey is RYPLJDIJKSTYAA-UNQQQNFISA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-6-9(7-5-2)10-8-13(3)11(14)12-10/h4,6-8H,5H2,1-3H3,(H,12,14)/b6-4-,9-7+.
What are the key properties of 5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one?
5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4E)-hepta-2,4-dien-4-yl]-3-methyl-1H-imidazol-2-one is sourced from PubChem (CID 121445915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).