5-ethyl-2-oxo-1H-imidazole-3-carboxamide

C6H9N3O2 — CID 123391411

IUPAC5-ethyl-2-oxo-1H-imidazole-3-carboxamide
SMILESCCc1cn(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-2-4-3-9(5(7)10)6(11)8-4/h3H,2H2,1H3,(H2,7,10)(H,8,11)
InChIKeyQNOYSRYYDPGLAI-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.33
Rot. Bonds1

About 5-ethyl-2-oxo-1H-imidazole-3-carboxamide

5-ethyl-2-oxo-1H-imidazole-3-carboxamide (PubChem CID 123391411) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-ethyl-2-oxo-1H-imidazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-oxo-1H-imidazole-3-carboxamide
PubChem CID123391411
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-ethyl-2-oxo-1H-imidazole-3-carboxamide
SMILESCCc1cn(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-2-4-3-9(5(7)10)6(11)8-4/h3H,2H2,1H3,(H2,7,10)(H,8,11)
InChIKeyQNOYSRYYDPGLAI-UHFFFAOYSA-N
XLogP-0.33
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-2,3-dihydro-1H-imidazol-2-one
CID 22035327
4-ethyl-2,3-dihydro-1H-imidazol-2-one
CID 15567528
4-propyl-1H-imidazol-2(3H)-one
CID 15567529
2-(2-Oxo-4-imidazolin-4-yl)ethylamine
CID 150871
4-Ethyl-1,3-dimethylimidazol-2-one
CID 18338546
3,5-dipropyl-1H-imidazol-2-one
CID 18384147
3-ethenyl-5-ethyl-1H-imidazol-2-one
CID 20324795
5-(propan-2-yl)-1H-imidazol-2-ol
CID 21858448
3-methyl-5-propan-2-yl-1H-imidazol-2-one
CID 58222525
5-ethyl-3-propyl-1H-imidazol-2-one
CID 69521209
3-ethenyl-4-ethyl-1H-imidazol-2-one
CID 69826661
4-methyl-1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
CID 81446270

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-oxo-1H-imidazole-3-carboxamide?
The IUPAC name of 5-ethyl-2-oxo-1H-imidazole-3-carboxamide (CID 123391411) is 5-ethyl-2-oxo-1H-imidazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-oxo-1H-imidazole-3-carboxamide?
The canonical SMILES for 5-ethyl-2-oxo-1H-imidazole-3-carboxamide is CCc1cn(C(N)=O)c(=O)[nH]1.
What is the InChIKey of 5-ethyl-2-oxo-1H-imidazole-3-carboxamide?
The InChIKey is QNOYSRYYDPGLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-4-3-9(5(7)10)6(11)8-4/h3H,2H2,1H3,(H2,7,10)(H,8,11).
What are the key properties of 5-ethyl-2-oxo-1H-imidazole-3-carboxamide?
5-ethyl-2-oxo-1H-imidazole-3-carboxamide has a molecular weight of 155.16 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-oxo-1H-imidazole-3-carboxamide is sourced from PubChem (CID 123391411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).