N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide

C10H11N3O — CID 134266957

IUPACN-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide
SMILESC=C/C=C\c1ncc(NC=O)n1C=C
InChIInChI=1S/C10H11N3O/c1-3-5-6-9-11-7-10(12-8-14)13(9)4-2/h3-8H,1-2H2,(H,12,14)/b6-5-
InChIKeyFQCUFISSCYMVJC-WAYWQWQTSA-N
MW189.22 g/mol
LogP1.75
Rot. Bonds5

About N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide

N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide (PubChem CID 134266957) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide
PubChem CID134266957
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide
SMILESC=C/C=C\c1ncc(NC=O)n1C=C
InChIInChI=1S/C10H11N3O/c1-3-5-6-9-11-7-10(12-8-14)13(9)4-2/h3-8H,1-2H2,(H,12,14)/b6-5-
InChIKeyFQCUFISSCYMVJC-WAYWQWQTSA-N
XLogP1.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide?
The IUPAC name of N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide (CID 134266957) is N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide.
What is the SMILES notation for N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide?
The canonical SMILES for N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide is C=C/C=C\c1ncc(NC=O)n1C=C.
What is the InChIKey of N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide?
The InChIKey is FQCUFISSCYMVJC-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H11N3O/c1-3-5-6-9-11-7-10(12-8-14)13(9)4-2/h3-8H,1-2H2,(H,12,14)/b6-5-.
What are the key properties of N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide?
N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide has a molecular weight of 189.22 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide is sourced from PubChem (CID 134266957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).