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

C6H7N3O2 — CID 22924958

IUPAC3-(1H-imidazol-5-yl)-3-oxopropanamide
SMILESNC(=O)CC(=O)c1cnc[nH]1
InChIInChI=1S/C6H7N3O2/c7-6(11)1-5(10)4-2-8-3-9-4/h2-3H,1H2,(H2,7,11)(H,8,9)
InChIKeyPHHNLBHNBLWYJM-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.53
Rot. Bonds3

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

3-(1H-imidazol-5-yl)-3-oxopropanamide (PubChem CID 22924958) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-3-oxopropanamide
PubChem CID22924958
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name3-(1H-imidazol-5-yl)-3-oxopropanamide
SMILESNC(=O)CC(=O)c1cnc[nH]1
InChIInChI=1S/C6H7N3O2/c7-6(11)1-5(10)4-2-8-3-9-4/h2-3H,1H2,(H2,7,11)(H,8,9)
InChIKeyPHHNLBHNBLWYJM-UHFFFAOYSA-N
XLogP-0.53
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1H-imidazole-5-carbohydrazide;hydrochloride
CID 141069695
ethane;1-(1H-imidazol-5-yl)propan-1-one
CID 145105684
N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide
CID 22925154
3-chloro-1-(1H-imidazol-5-yl)propan-1-one
CID 146026723
N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide
CID 89269736
1-(1H-imidazol-5-yl)pent-4-en-1-one
CID 565715
N,N-diethylethanamine;1H-imidazole-5-carboxamide
CID 68977310
1H-imidazole-5-carboxylic acid;dihydrate
CID 140542846
bis(1H-imidazole-5-carboxylic acid);manganese
CID 134691385
1-(1H-imidazol-5-yl)-4-methoxybutan-1-one
CID 89326565
2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
methyl 1H-imidazole-5-carboxylate;hydrochloride
CID 45116490

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-3-oxopropanamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-3-oxopropanamide (CID 22924958) is 3-(1H-imidazol-5-yl)-3-oxopropanamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-3-oxopropanamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-3-oxopropanamide is NC(=O)CC(=O)c1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-3-oxopropanamide?
The InChIKey is PHHNLBHNBLWYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-6(11)1-5(10)4-2-8-3-9-4/h2-3H,1H2,(H2,7,11)(H,8,9).
What are the key properties of 3-(1H-imidazol-5-yl)-3-oxopropanamide?
3-(1H-imidazol-5-yl)-3-oxopropanamide has a molecular weight of 153.14 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-3-oxopropanamide is sourced from PubChem (CID 22924958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).