4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one

C11H12N2O — CID 134278061

IUPAC4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one
SMILESC=C/C=C\C(=C/C=C)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H12N2O/c1-3-5-7-9(6-4-2)10-8-12-11(14)13-10/h3-8H,1-2H2,(H2,12,13,14)/b7-5-,9-6+
InChIKeyWVTDKNLPXDHZFH-XCZNYUDNSA-N
MW188.23 g/mol
LogP2.01
Rot. Bonds4

About 4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one

4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one (PubChem CID 134278061) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one
PubChem CID134278061
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one
SMILESC=C/C=C\C(=C/C=C)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H12N2O/c1-3-5-7-9(6-4-2)10-8-12-11(14)13-10/h3-8H,1-2H2,(H2,12,13,14)/b7-5-,9-6+
InChIKeyWVTDKNLPXDHZFH-XCZNYUDNSA-N
XLogP2.01
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one (CID 134278061) is 4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one is C=C/C=C\C(=C/C=C)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one?
The InChIKey is WVTDKNLPXDHZFH-XCZNYUDNSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-5-7-9(6-4-2)10-8-12-11(14)13-10/h3-8H,1-2H2,(H2,12,13,14)/b7-5-,9-6+.
What are the key properties of 4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one?
4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 134278061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).