5-(3-ethenyl-2H-imidazol-1-yl)pentanamide

C10H17N3O — CID 174918742

IUPAC5-(3-ethenyl-2H-imidazol-1-yl)pentanamide
SMILESC=CN1C=CN(CCCCC(N)=O)C1
InChIInChI=1S/C10H17N3O/c1-2-12-7-8-13(9-12)6-4-3-5-10(11)14/h2,7-8H,1,3-6,9H2,(H2,11,14)
InChIKeyFZPQHYPYJBTXFM-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.83
Rot. Bonds6

About 5-(3-ethenyl-2H-imidazol-1-yl)pentanamide

5-(3-ethenyl-2H-imidazol-1-yl)pentanamide (PubChem CID 174918742) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(3-ethenyl-2H-imidazol-1-yl)pentanamide.

Molecular Properties

Compound Name5-(3-ethenyl-2H-imidazol-1-yl)pentanamide
PubChem CID174918742
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(3-ethenyl-2H-imidazol-1-yl)pentanamide
SMILESC=CN1C=CN(CCCCC(N)=O)C1
InChIInChI=1S/C10H17N3O/c1-2-12-7-8-13(9-12)6-4-3-5-10(11)14/h2,7-8H,1,3-6,9H2,(H2,11,14)
InChIKeyFZPQHYPYJBTXFM-UHFFFAOYSA-N
XLogP0.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethenyl-2H-imidazol-1-yl)pentanamide?
The IUPAC name of 5-(3-ethenyl-2H-imidazol-1-yl)pentanamide (CID 174918742) is 5-(3-ethenyl-2H-imidazol-1-yl)pentanamide.
What is the SMILES notation for 5-(3-ethenyl-2H-imidazol-1-yl)pentanamide?
The canonical SMILES for 5-(3-ethenyl-2H-imidazol-1-yl)pentanamide is C=CN1C=CN(CCCCC(N)=O)C1.
What is the InChIKey of 5-(3-ethenyl-2H-imidazol-1-yl)pentanamide?
The InChIKey is FZPQHYPYJBTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-12-7-8-13(9-12)6-4-3-5-10(11)14/h2,7-8H,1,3-6,9H2,(H2,11,14).
What are the key properties of 5-(3-ethenyl-2H-imidazol-1-yl)pentanamide?
5-(3-ethenyl-2H-imidazol-1-yl)pentanamide has a molecular weight of 195.27 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethenyl-2H-imidazol-1-yl)pentanamide is sourced from PubChem (CID 174918742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).