4-(2-aminoimidazol-1-yl)butanal

C7H11N3O — CID 55253480

IUPAC4-(2-aminoimidazol-1-yl)butanal
SMILESNc1nccn1CCCC=O
InChIInChI=1S/C7H11N3O/c8-7-9-3-5-10(7)4-1-2-6-11/h3,5-6H,1-2,4H2,(H2,8,9)
InChIKeyJXJSCDLWPMDNRW-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.44
Rot. Bonds4

About 4-(2-aminoimidazol-1-yl)butanal

4-(2-aminoimidazol-1-yl)butanal (PubChem CID 55253480) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-(2-aminoimidazol-1-yl)butanal.

Molecular Properties

Compound Name4-(2-aminoimidazol-1-yl)butanal
PubChem CID55253480
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4-(2-aminoimidazol-1-yl)butanal
SMILESNc1nccn1CCCC=O
InChIInChI=1S/C7H11N3O/c8-7-9-3-5-10(7)4-1-2-6-11/h3,5-6H,1-2,4H2,(H2,8,9)
InChIKeyJXJSCDLWPMDNRW-UHFFFAOYSA-N
XLogP0.44
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.44
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 4-(2-aminoimidazol-1-yl)butanal?
The IUPAC name of 4-(2-aminoimidazol-1-yl)butanal (CID 55253480) is 4-(2-aminoimidazol-1-yl)butanal.
What is the SMILES notation for 4-(2-aminoimidazol-1-yl)butanal?
The canonical SMILES for 4-(2-aminoimidazol-1-yl)butanal is Nc1nccn1CCCC=O.
What is the InChIKey of 4-(2-aminoimidazol-1-yl)butanal?
The InChIKey is JXJSCDLWPMDNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-7-9-3-5-10(7)4-1-2-6-11/h3,5-6H,1-2,4H2,(H2,8,9).
What are the key properties of 4-(2-aminoimidazol-1-yl)butanal?
4-(2-aminoimidazol-1-yl)butanal has a molecular weight of 153.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoimidazol-1-yl)butanal is sourced from PubChem (CID 55253480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).