ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate

C14H22N2O3 — CID 80580354

IUPACethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C14H22N2O3/c1-2-19-13(17)6-4-3-5-9-15-10-11-16(14(15)18)12-7-8-12/h10-12H,2-9H2,1H3
InChIKeyMWSCXPACUKUBDE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.11
Rot. Bonds8

About ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate

ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate (PubChem CID 80580354) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate
PubChem CID80580354
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C14H22N2O3/c1-2-19-13(17)6-4-3-5-9-15-10-11-16(14(15)18)12-7-8-12/h10-12H,2-9H2,1H3
InChIKeyMWSCXPACUKUBDE-UHFFFAOYSA-N
XLogP2.11
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate?
The IUPAC name of ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate (CID 80580354) is ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate is CCOC(=O)CCCCCn1ccn(C2CC2)c1=O.
What is the InChIKey of ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate?
The InChIKey is MWSCXPACUKUBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-19-13(17)6-4-3-5-9-15-10-11-16(14(15)18)12-7-8-12/h10-12H,2-9H2,1H3.
What are the key properties of ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate?
ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate has a molecular weight of 266.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanoate is sourced from PubChem (CID 80580354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).