5-(oxiran-2-yl)-1-propylimidazole

C8H12N2O — CID 66130060

IUPAC5-(oxiran-2-yl)-1-propylimidazole
SMILESCCCn1cncc1C1CO1
InChIInChI=1S/C8H12N2O/c1-2-3-10-6-9-4-7(10)8-5-11-8/h4,6,8H,2-3,5H2,1H3
InChIKeyKLNOJXYFEWXYLU-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.36
Rot. Bonds3

About 5-(oxiran-2-yl)-1-propylimidazole

5-(oxiran-2-yl)-1-propylimidazole (PubChem CID 66130060) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-(oxiran-2-yl)-1-propylimidazole.

Molecular Properties

Compound Name5-(oxiran-2-yl)-1-propylimidazole
PubChem CID66130060
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-(oxiran-2-yl)-1-propylimidazole
SMILESCCCn1cncc1C1CO1
InChIInChI=1S/C8H12N2O/c1-2-3-10-6-9-4-7(10)8-5-11-8/h4,6,8H,2-3,5H2,1H3
InChIKeyKLNOJXYFEWXYLU-UHFFFAOYSA-N
XLogP1.36
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(3-propylimidazol-4-yl)oxan-4-ol
CID 66129854
5-(3-propylimidazol-4-yl)oxolan-2-one
CID 103439721
2-(3-propylimidazol-4-yl)oxane-3-carbonitrile
CID 79368493
N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712211
4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazolidine
CID 66218656
5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole
CID 66130852
N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]cyclopropanamine
CID 79367793
5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole
CID 66131789
2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine
CID 79367798
(4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948434
4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one
CID 66129776
7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672575

Frequently Asked Questions

What is the IUPAC name of 5-(oxiran-2-yl)-1-propylimidazole?
The IUPAC name of 5-(oxiran-2-yl)-1-propylimidazole (CID 66130060) is 5-(oxiran-2-yl)-1-propylimidazole.
What is the SMILES notation for 5-(oxiran-2-yl)-1-propylimidazole?
The canonical SMILES for 5-(oxiran-2-yl)-1-propylimidazole is CCCn1cncc1C1CO1.
What is the InChIKey of 5-(oxiran-2-yl)-1-propylimidazole?
The InChIKey is KLNOJXYFEWXYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-10-6-9-4-7(10)8-5-11-8/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 5-(oxiran-2-yl)-1-propylimidazole?
5-(oxiran-2-yl)-1-propylimidazole has a molecular weight of 152.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxiran-2-yl)-1-propylimidazole is sourced from PubChem (CID 66130060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).