3-(1H-imidazol-5-yl)propanamide

C6H9N3O — CID 565498

IUPAC3-(1H-imidazol-5-yl)propanamide
SMILESNC(=O)CCc1cnc[nH]1
InChIInChI=1S/C6H9N3O/c7-6(10)2-1-5-3-8-4-9-5/h3-4H,1-2H2,(H2,7,10)(H,8,9)
InChIKeyWELHCKCHZYENBT-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.17
Rot. Bonds3

About 3-(1H-imidazol-5-yl)propanamide

3-(1H-imidazol-5-yl)propanamide (PubChem CID 565498) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propanamide
PubChem CID565498
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3-(1H-imidazol-5-yl)propanamide
SMILESNC(=O)CCc1cnc[nH]1
InChIInChI=1S/C6H9N3O/c7-6(10)2-1-5-3-8-4-9-5/h3-4H,1-2H2,(H2,7,10)(H,8,9)
InChIKeyWELHCKCHZYENBT-UHFFFAOYSA-N
XLogP-0.17
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of 3-(1H-imidazol-5-yl)propanamide (CID 565498) is 3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)propanamide is NC(=O)CCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propanamide?
The InChIKey is WELHCKCHZYENBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-6(10)2-1-5-3-8-4-9-5/h3-4H,1-2H2,(H2,7,10)(H,8,9).
What are the key properties of 3-(1H-imidazol-5-yl)propanamide?
3-(1H-imidazol-5-yl)propanamide has a molecular weight of 139.16 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 565498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).