ethyl formate;5-ethyl-1H-imidazole

C8H14N2O2 — CID 175286438

IUPACethyl formate;5-ethyl-1H-imidazole
SMILESCCOC=O.CCc1cnc[nH]1
InChIInChI=1S/C5H8N2.C3H6O2/c1-2-5-3-6-4-7-5;1-2-5-3-4/h3-4H,2H2,1H3,(H,6,7);3H,2H2,1H3
InChIKeyCVDVOJHBXGQAEX-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.15
Rot. Bonds3

About ethyl formate;5-ethyl-1H-imidazole

ethyl formate;5-ethyl-1H-imidazole (PubChem CID 175286438) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl formate;5-ethyl-1H-imidazole.

Molecular Properties

Compound Nameethyl formate;5-ethyl-1H-imidazole
PubChem CID175286438
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameethyl formate;5-ethyl-1H-imidazole
SMILESCCOC=O.CCc1cnc[nH]1
InChIInChI=1S/C5H8N2.C3H6O2/c1-2-5-3-6-4-7-5;1-2-5-3-4/h3-4H,2H2,1H3,(H,6,7);3H,2H2,1H3
InChIKeyCVDVOJHBXGQAEX-UHFFFAOYSA-N
XLogP1.15
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;5-(ethoxymethyl)-1H-imidazole
CID 176980020
5-ethyl-1H-imidazole;molecular hydrogen;propane
CID 153371786
ethyl formate;5-nitro-1H-imidazole
CID 174696981
2-(1H-imidazol-5-yl)acetaldehyde;hydrochloride
CID 86735846
2-(1H-imidazol-5-ylmethyl)butanal
CID 121486226
5-(ethoxymethyl)-1H-pyrimidin-6-one
CID 119094005
ethyl formate;5-methyl-1,3-thiazole
CID 174932839
[(2S)-1-ethoxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]azanium
CID 7015307
ethyl formate;1,3-thiazole
CID 161371484
ethyl 3-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761064
ethyl 4-(1H-imidazol-5-yl)-2-oxobutanoate
CID 70557338
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753

Frequently Asked Questions

What is the IUPAC name of ethyl formate;5-ethyl-1H-imidazole?
The IUPAC name of ethyl formate;5-ethyl-1H-imidazole (CID 175286438) is ethyl formate;5-ethyl-1H-imidazole.
What is the SMILES notation for ethyl formate;5-ethyl-1H-imidazole?
The canonical SMILES for ethyl formate;5-ethyl-1H-imidazole is CCOC=O.CCc1cnc[nH]1.
What is the InChIKey of ethyl formate;5-ethyl-1H-imidazole?
The InChIKey is CVDVOJHBXGQAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C3H6O2/c1-2-5-3-6-4-7-5;1-2-5-3-4/h3-4H,2H2,1H3,(H,6,7);3H,2H2,1H3.
What are the key properties of ethyl formate;5-ethyl-1H-imidazole?
ethyl formate;5-ethyl-1H-imidazole has a molecular weight of 170.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;5-ethyl-1H-imidazole is sourced from PubChem (CID 175286438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).