N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide

C7H11N3O2 — CID 103125375

IUPACN-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
SMILESCNC(=O)CCn1cc[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-8-6(11)2-4-10-5-3-9-7(10)12/h3,5H,2,4H2,1H3,(H,8,11)(H,9,12)
InChIKeyBAEATOUKZZHUDM-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.69
Rot. Bonds3

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

N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide (PubChem CID 103125375) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
PubChem CID103125375
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
SMILESCNC(=O)CCn1cc[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-8-6(11)2-4-10-5-3-9-7(10)12/h3,5H,2,4H2,1H3,(H,8,11)(H,9,12)
InChIKeyBAEATOUKZZHUDM-UHFFFAOYSA-N
XLogP-0.69
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
The IUPAC name of N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide (CID 103125375) is N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide.
What is the SMILES notation for N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
The canonical SMILES for N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide is CNC(=O)CCn1cc[nH]c1=O.
What is the InChIKey of N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
The InChIKey is BAEATOUKZZHUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8-6(11)2-4-10-5-3-9-7(10)12/h3,5H,2,4H2,1H3,(H,8,11)(H,9,12).
What are the key properties of N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide?
N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide has a molecular weight of 169.18 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide is sourced from PubChem (CID 103125375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).