1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one

C11H16N2O — CID 156829186

IUPAC1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one
SMILESC=C/C(CC)=C(\C=C)N1CCNC1=O
InChIInChI=1S/C11H16N2O/c1-4-9(5-2)10(6-3)13-8-7-12-11(13)14/h4,6H,1,3,5,7-8H2,2H3,(H,12,14)/b10-9-
InChIKeyAFFPRYJEFWCURG-KTKRTIGZSA-N
MW192.26 g/mol
LogP2.05
Rot. Bonds4

About 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one

1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one (PubChem CID 156829186) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one
PubChem CID156829186
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one
SMILESC=C/C(CC)=C(\C=C)N1CCNC1=O
InChIInChI=1S/C11H16N2O/c1-4-9(5-2)10(6-3)13-8-7-12-11(13)14/h4,6H,1,3,5,7-8H2,2H3,(H,12,14)/b10-9-
InChIKeyAFFPRYJEFWCURG-KTKRTIGZSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butanoylimidazolidin-2-one
CID 12771230
ethyl 3-ethyl-2-(2-oxoimidazolidin-1-yl)pent-2-enoate
CID 68659285
1-(2-chlorobutanoyl)imidazolidin-2-one
CID 16786747
1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one
CID 145372236
methyl 2-oxoimidazolidine-1-carboxylate
CID 11788357
2-oxoimidazolidine-1-carbothioamide
CID 3037080
N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide
CID 3762747
N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
CID 3021104
1-prop-2-enylimidazolidin-2-one;sulfuric acid
CID 174800474
4-prop-2-enoylpiperazin-2-one
CID 43616246
1-ethylimidazolidin-2-one;hydrochloride
CID 21472714
N-iodo-N-(2-methylpropyl)-2-oxoimidazolidine-1-carboxamide
CID 19905885

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one (CID 156829186) is 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one is C=C/C(CC)=C(\C=C)N1CCNC1=O.
What is the InChIKey of 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one?
The InChIKey is AFFPRYJEFWCURG-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-9(5-2)10(6-3)13-8-7-12-11(13)14/h4,6H,1,3,5,7-8H2,2H3,(H,12,14)/b10-9-.
What are the key properties of 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one?
1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]imidazolidin-2-one is sourced from PubChem (CID 156829186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).