2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate

C10H13NO4 — CID 6945614

IUPAC2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate
SMILESO=C([O-])c1ccoc1C[NH+]1CCOCC1
InChIInChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
InChIKeyWSBKJYRHFNGTRA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.94
Rot. Bonds3

About 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate

2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate (PubChem CID 6945614) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate.

Molecular Properties

Compound Name2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate
PubChem CID6945614
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate
SMILESO=C([O-])c1ccoc1C[NH+]1CCOCC1
InChIInChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
InChIKeyWSBKJYRHFNGTRA-UHFFFAOYSA-N
XLogP-1.94
TPSA66.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate?
The IUPAC name of 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate (CID 6945614) is 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate.
What is the SMILES notation for 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate?
The canonical SMILES for 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate is O=C([O-])c1ccoc1C[NH+]1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate?
The InChIKey is WSBKJYRHFNGTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13).
What are the key properties of 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate?
2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate has a molecular weight of 211.22 g/mol, XLogP of -1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate is sourced from PubChem (CID 6945614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).