3-(2-oxo-3-propylimidazol-1-yl)propanamide

C9H15N3O2 — CID 80583025

IUPAC3-(2-oxo-3-propylimidazol-1-yl)propanamide
SMILESCCCn1ccn(CCC(N)=O)c1=O
InChIInChI=1S/C9H15N3O2/c1-2-4-11-6-7-12(9(11)14)5-3-8(10)13/h6-7H,2-5H2,1H3,(H2,10,13)
InChIKeyZMDWJYSAHIWVGR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.06
Rot. Bonds5

About 3-(2-oxo-3-propylimidazol-1-yl)propanamide

3-(2-oxo-3-propylimidazol-1-yl)propanamide (PubChem CID 80583025) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(2-oxo-3-propylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-propylimidazol-1-yl)propanamide
PubChem CID80583025
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(2-oxo-3-propylimidazol-1-yl)propanamide
SMILESCCCn1ccn(CCC(N)=O)c1=O
InChIInChI=1S/C9H15N3O2/c1-2-4-11-6-7-12(9(11)14)5-3-8(10)13/h6-7H,2-5H2,1H3,(H2,10,13)
InChIKeyZMDWJYSAHIWVGR-UHFFFAOYSA-N
XLogP-0.06
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-propylimidazol-1-yl)propanamide?
The IUPAC name of 3-(2-oxo-3-propylimidazol-1-yl)propanamide (CID 80583025) is 3-(2-oxo-3-propylimidazol-1-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-3-propylimidazol-1-yl)propanamide?
The canonical SMILES for 3-(2-oxo-3-propylimidazol-1-yl)propanamide is CCCn1ccn(CCC(N)=O)c1=O.
What is the InChIKey of 3-(2-oxo-3-propylimidazol-1-yl)propanamide?
The InChIKey is ZMDWJYSAHIWVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-4-11-6-7-12(9(11)14)5-3-8(10)13/h6-7H,2-5H2,1H3,(H2,10,13).
What are the key properties of 3-(2-oxo-3-propylimidazol-1-yl)propanamide?
3-(2-oxo-3-propylimidazol-1-yl)propanamide has a molecular weight of 197.24 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-propylimidazol-1-yl)propanamide is sourced from PubChem (CID 80583025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).