3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide

C9H15N3O2 — CID 103125382

IUPAC3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1cc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-4-10-8(13)3-6-12-7-5-11-9(12)14/h5,7H,2-4,6H2,1H3,(H,10,13)(H,11,14)
InChIKeyZIOIHXIMBFGVHW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.09
Rot. Bonds5

About 3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide

3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide (PubChem CID 103125382) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
PubChem CID103125382
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1cc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-4-10-8(13)3-6-12-7-5-11-9(12)14/h5,7H,2-4,6H2,1H3,(H,10,13)(H,11,14)
InChIKeyZIOIHXIMBFGVHW-UHFFFAOYSA-N
XLogP0.09
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
The IUPAC name of 3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide (CID 103125382) is 3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
The canonical SMILES for 3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide is CCCNC(=O)CCn1cc[nH]c1=O.
What is the InChIKey of 3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
The InChIKey is ZIOIHXIMBFGVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-4-10-8(13)3-6-12-7-5-11-9(12)14/h5,7H,2-4,6H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide?
3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide has a molecular weight of 197.24 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide is sourced from PubChem (CID 103125382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).