3-(3-ethyl-2-oxoimidazol-1-yl)propanamide

C8H13N3O2 — CID 80583296

IUPAC3-(3-ethyl-2-oxoimidazol-1-yl)propanamide
SMILESCCn1ccn(CCC(N)=O)c1=O
InChIInChI=1S/C8H13N3O2/c1-2-10-5-6-11(8(10)13)4-3-7(9)12/h5-6H,2-4H2,1H3,(H2,9,12)
InChIKeyONYMODJUXHSWBT-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.45
Rot. Bonds4

About 3-(3-ethyl-2-oxoimidazol-1-yl)propanamide

3-(3-ethyl-2-oxoimidazol-1-yl)propanamide (PubChem CID 80583296) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxoimidazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxoimidazol-1-yl)propanamide
PubChem CID80583296
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-(3-ethyl-2-oxoimidazol-1-yl)propanamide
SMILESCCn1ccn(CCC(N)=O)c1=O
InChIInChI=1S/C8H13N3O2/c1-2-10-5-6-11(8(10)13)4-3-7(9)12/h5-6H,2-4H2,1H3,(H2,9,12)
InChIKeyONYMODJUXHSWBT-UHFFFAOYSA-N
XLogP-0.45
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxoimidazol-1-yl)propanamide?
The IUPAC name of 3-(3-ethyl-2-oxoimidazol-1-yl)propanamide (CID 80583296) is 3-(3-ethyl-2-oxoimidazol-1-yl)propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxoimidazol-1-yl)propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxoimidazol-1-yl)propanamide is CCn1ccn(CCC(N)=O)c1=O.
What is the InChIKey of 3-(3-ethyl-2-oxoimidazol-1-yl)propanamide?
The InChIKey is ONYMODJUXHSWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-10-5-6-11(8(10)13)4-3-7(9)12/h5-6H,2-4H2,1H3,(H2,9,12).
What are the key properties of 3-(3-ethyl-2-oxoimidazol-1-yl)propanamide?
3-(3-ethyl-2-oxoimidazol-1-yl)propanamide has a molecular weight of 183.21 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxoimidazol-1-yl)propanamide is sourced from PubChem (CID 80583296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).