4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one

C15H26N2O3 — CID 143332283

IUPAC4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one
SMILESCCCCOC/C=C(\C=C/COC)CC1CNC(=O)N1
InChIInChI=1S/C15H26N2O3/c1-3-4-9-20-10-7-13(6-5-8-19-2)11-14-12-16-15(18)17-14/h5-7,14H,3-4,8-12H2,1-2H3,(H2,16,17,18)/b6-5-,13-7+
InChIKeyNBNBWEGAMDDFOA-RKOYKYSNSA-N
MW282.38 g/mol
LogP2.00
Rot. Bonds10

About 4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one

4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one (PubChem CID 143332283) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one
PubChem CID143332283
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one
SMILESCCCCOC/C=C(\C=C/COC)CC1CNC(=O)N1
InChIInChI=1S/C15H26N2O3/c1-3-4-9-20-10-7-13(6-5-8-19-2)11-14-12-16-15(18)17-14/h5-7,14H,3-4,8-12H2,1-2H3,(H2,16,17,18)/b6-5-,13-7+
InChIKeyNBNBWEGAMDDFOA-RKOYKYSNSA-N
XLogP2.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one?
The IUPAC name of 4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one (CID 143332283) is 4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one.
What is the SMILES notation for 4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one?
The canonical SMILES for 4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one is CCCCOC/C=C(\C=C/COC)CC1CNC(=O)N1.
What is the InChIKey of 4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one?
The InChIKey is NBNBWEGAMDDFOA-RKOYKYSNSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-4-9-20-10-7-13(6-5-8-19-2)11-14-12-16-15(18)17-14/h5-7,14H,3-4,8-12H2,1-2H3,(H2,16,17,18)/b6-5-,13-7+.
What are the key properties of 4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one?
4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one has a molecular weight of 282.38 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z,2Z)-2-(2-butoxyethylidene)-5-methoxypent-3-enyl]imidazolidin-2-one is sourced from PubChem (CID 143332283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).