butyl 2-ethylimidazole-1-carboxylate

C10H16N2O2 — CID 154015301

IUPACbutyl 2-ethylimidazole-1-carboxylate
SMILESCCCCOC(=O)n1ccnc1CC
InChIInChI=1S/C10H16N2O2/c1-3-5-8-14-10(13)12-7-6-11-9(12)4-2/h6-7H,3-5,8H2,1-2H3
InChIKeyRHNWVICXBGBYMF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.23
Rot. Bonds4

About butyl 2-ethylimidazole-1-carboxylate

butyl 2-ethylimidazole-1-carboxylate (PubChem CID 154015301) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is butyl 2-ethylimidazole-1-carboxylate.

Molecular Properties

Compound Namebutyl 2-ethylimidazole-1-carboxylate
PubChem CID154015301
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namebutyl 2-ethylimidazole-1-carboxylate
SMILESCCCCOC(=O)n1ccnc1CC
InChIInChI=1S/C10H16N2O2/c1-3-5-8-14-10(13)12-7-6-11-9(12)4-2/h6-7H,3-5,8H2,1-2H3
InChIKeyRHNWVICXBGBYMF-UHFFFAOYSA-N
XLogP2.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-ethylimidazole-1-carboxylate?
The IUPAC name of butyl 2-ethylimidazole-1-carboxylate (CID 154015301) is butyl 2-ethylimidazole-1-carboxylate.
What is the SMILES notation for butyl 2-ethylimidazole-1-carboxylate?
The canonical SMILES for butyl 2-ethylimidazole-1-carboxylate is CCCCOC(=O)n1ccnc1CC.
What is the InChIKey of butyl 2-ethylimidazole-1-carboxylate?
The InChIKey is RHNWVICXBGBYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-8-14-10(13)12-7-6-11-9(12)4-2/h6-7H,3-5,8H2,1-2H3.
What are the key properties of butyl 2-ethylimidazole-1-carboxylate?
butyl 2-ethylimidazole-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-ethylimidazole-1-carboxylate is sourced from PubChem (CID 154015301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).