4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde

C13H18N4O2 — CID 143218101

IUPAC4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
SMILESC=Cc1c(/N=C\C)[nH]c(=O)n1C1CCN(C=O)CC1
InChIInChI=1S/C13H18N4O2/c1-3-11-12(14-4-2)15-13(19)17(11)10-5-7-16(9-18)8-6-10/h3-4,9-10H,1,5-8H2,2H3,(H,15,19)/b14-4-
InChIKeyATJOZFGWLPACQC-CPSFFCFKSA-N
MW262.31 g/mol
LogP1.33
Rot. Bonds4

About 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde

4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde (PubChem CID 143218101) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
PubChem CID143218101
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
SMILESC=Cc1c(/N=C\C)[nH]c(=O)n1C1CCN(C=O)CC1
InChIInChI=1S/C13H18N4O2/c1-3-11-12(14-4-2)15-13(19)17(11)10-5-7-16(9-18)8-6-10/h3-4,9-10H,1,5-8H2,2H3,(H,15,19)/b14-4-
InChIKeyATJOZFGWLPACQC-CPSFFCFKSA-N
XLogP1.33
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde (CID 143218101) is 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde is C=Cc1c(/N=C\C)[nH]c(=O)n1C1CCN(C=O)CC1.
What is the InChIKey of 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
The InChIKey is ATJOZFGWLPACQC-CPSFFCFKSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-11-12(14-4-2)15-13(19)17(11)10-5-7-16(9-18)8-6-10/h3-4,9-10H,1,5-8H2,2H3,(H,15,19)/b14-4-.
What are the key properties of 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde?
4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethenyl-5-[(Z)-ethylideneamino]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 143218101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).