5-(5-formylimidazol-1-yl)pentanamide

C9H13N3O2 — CID 106240891

IUPAC5-(5-formylimidazol-1-yl)pentanamide
SMILESNC(=O)CCCCn1cncc1C=O
InChIInChI=1S/C9H13N3O2/c10-9(14)3-1-2-4-12-7-11-5-8(12)6-13/h5-7H,1-4H2,(H2,10,14)
InChIKeyALKSVPUPBCJIHZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.35
Rot. Bonds6

About 5-(5-formylimidazol-1-yl)pentanamide

5-(5-formylimidazol-1-yl)pentanamide (PubChem CID 106240891) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(5-formylimidazol-1-yl)pentanamide.

Molecular Properties

Compound Name5-(5-formylimidazol-1-yl)pentanamide
PubChem CID106240891
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-(5-formylimidazol-1-yl)pentanamide
SMILESNC(=O)CCCCn1cncc1C=O
InChIInChI=1S/C9H13N3O2/c10-9(14)3-1-2-4-12-7-11-5-8(12)6-13/h5-7H,1-4H2,(H2,10,14)
InChIKeyALKSVPUPBCJIHZ-UHFFFAOYSA-N
XLogP0.35
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-formylimidazol-1-yl)pentanamide?
The IUPAC name of 5-(5-formylimidazol-1-yl)pentanamide (CID 106240891) is 5-(5-formylimidazol-1-yl)pentanamide.
What is the SMILES notation for 5-(5-formylimidazol-1-yl)pentanamide?
The canonical SMILES for 5-(5-formylimidazol-1-yl)pentanamide is NC(=O)CCCCn1cncc1C=O.
What is the InChIKey of 5-(5-formylimidazol-1-yl)pentanamide?
The InChIKey is ALKSVPUPBCJIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-9(14)3-1-2-4-12-7-11-5-8(12)6-13/h5-7H,1-4H2,(H2,10,14).
What are the key properties of 5-(5-formylimidazol-1-yl)pentanamide?
5-(5-formylimidazol-1-yl)pentanamide has a molecular weight of 195.22 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylimidazol-1-yl)pentanamide is sourced from PubChem (CID 106240891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).