(3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea

C11H18N4O2 — CID 137156628

IUPAC(3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
SMILESCCCC=CCNC(=O)/N=C1\NC(=O)CN1C
InChIInChI=1S/C11H18N4O2/c1-3-4-5-6-7-12-11(17)14-10-13-9(16)8-15(10)2/h5-6H,3-4,7-8H2,1-2H3,(H2,12,13,14,16,17)
InChIKeyQTUBMDKPUJBQMI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.47
Rot. Bonds4

About (3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea

(3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea (PubChem CID 137156628) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea.

Molecular Properties

Compound Name(3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
PubChem CID137156628
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
SMILESCCCC=CCNC(=O)/N=C1\NC(=O)CN1C
InChIInChI=1S/C11H18N4O2/c1-3-4-5-6-7-12-11(17)14-10-13-9(16)8-15(10)2/h5-6H,3-4,7-8H2,1-2H3,(H2,12,13,14,16,17)
InChIKeyQTUBMDKPUJBQMI-UHFFFAOYSA-N
XLogP0.47
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
The IUPAC name of (3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea (CID 137156628) is (3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea.
What is the SMILES notation for (3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
The canonical SMILES for (3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea is CCCC=CCNC(=O)/N=C1\NC(=O)CN1C.
What is the InChIKey of (3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
The InChIKey is QTUBMDKPUJBQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-4-5-6-7-12-11(17)14-10-13-9(16)8-15(10)2/h5-6H,3-4,7-8H2,1-2H3,(H2,12,13,14,16,17).
What are the key properties of (3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea?
(3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea has a molecular weight of 238.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-hex-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea is sourced from PubChem (CID 137156628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).