ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate

C11H15N3O4 — CID 559831

IUPACethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)N1CCOCC1
InChIInChI=1S/C11H15N3O4/c1-2-18-11(16)9-8(12-7-13-9)10(15)14-3-5-17-6-4-14/h7H,2-6H2,1H3,(H,12,13)
InChIKeyJUHVKYZLTNMBHI-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.06
Rot. Bonds3

About ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate

ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate (PubChem CID 559831) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate
PubChem CID559831
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nameethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)N1CCOCC1
InChIInChI=1S/C11H15N3O4/c1-2-18-11(16)9-8(12-7-13-9)10(15)14-3-5-17-6-4-14/h7H,2-6H2,1H3,(H,12,13)
InChIKeyJUHVKYZLTNMBHI-UHFFFAOYSA-N
XLogP0.06
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate (CID 559831) is ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)N1CCOCC1.
What is the InChIKey of ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate?
The InChIKey is JUHVKYZLTNMBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-18-11(16)9-8(12-7-13-9)10(15)14-3-5-17-6-4-14/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate?
ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 559831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).