1-(1-nitrosoethyl)imidazole

C5H7N3O — CID 54257439

IUPAC1-(1-nitrosoethyl)imidazole
SMILESCC(N=O)n1ccnc1
InChIInChI=1S/C5H7N3O/c1-5(7-9)8-3-2-6-4-8/h2-5H,1H3
InChIKeyRBBRHHGJPSPTDI-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.17
Rot. Bonds2

About 1-(1-nitrosoethyl)imidazole

1-(1-nitrosoethyl)imidazole (PubChem CID 54257439) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-(1-nitrosoethyl)imidazole.

Molecular Properties

Compound Name1-(1-nitrosoethyl)imidazole
PubChem CID54257439
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name1-(1-nitrosoethyl)imidazole
SMILESCC(N=O)n1ccnc1
InChIInChI=1S/C5H7N3O/c1-5(7-9)8-3-2-6-4-8/h2-5H,1H3
InChIKeyRBBRHHGJPSPTDI-UHFFFAOYSA-N
XLogP1.17
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-nitrosoethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-chloroethyl)imidazole
CID 22400425
ethane;methane;1-propan-2-ylimidazole
CID 159501500
1-imidazol-1-ylethanol
CID 18366448
carbonic acid;1-propan-2-ylimidazole
CID 175084414
1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole
CID 54514098
2-imidazol-1-ylpropanoic acid
CID 16788764
1-imidazol-1-yl-N,N-dimethylethanamine
CID 123720804
(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
1-(dibromomethyl)imidazole
CID 175175892
1-(3-ethylpentan-2-yl)imidazole
CID 174620112
3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852
1-(4,4-dimethylpentan-2-yl)imidazole
CID 118984043

Frequently Asked Questions

What is the IUPAC name of 1-(1-nitrosoethyl)imidazole?
The IUPAC name of 1-(1-nitrosoethyl)imidazole (CID 54257439) is 1-(1-nitrosoethyl)imidazole.
What is the SMILES notation for 1-(1-nitrosoethyl)imidazole?
The canonical SMILES for 1-(1-nitrosoethyl)imidazole is CC(N=O)n1ccnc1.
What is the InChIKey of 1-(1-nitrosoethyl)imidazole?
The InChIKey is RBBRHHGJPSPTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-5(7-9)8-3-2-6-4-8/h2-5H,1H3.
What are the key properties of 1-(1-nitrosoethyl)imidazole?
1-(1-nitrosoethyl)imidazole has a molecular weight of 125.13 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-nitrosoethyl)imidazole is sourced from PubChem (CID 54257439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).