5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate

C11H15NO4 — CID 6946575

IUPAC5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
SMILESCc1oc(C(=O)[O-])cc1C[NH+]1CCOCC1
InChIInChI=1S/C11H15NO4/c1-8-9(6-10(16-8)11(13)14)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyRYGQPTJGYVABKT-UHFFFAOYSA-N
MW225.24 g/mol
LogP-1.63
Rot. Bonds3

About 5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate

5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate (PubChem CID 6946575) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
PubChem CID6946575
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
SMILESCc1oc(C(=O)[O-])cc1C[NH+]1CCOCC1
InChIInChI=1S/C11H15NO4/c1-8-9(6-10(16-8)11(13)14)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyRYGQPTJGYVABKT-UHFFFAOYSA-N
XLogP-1.63
TPSA66.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate?
The IUPAC name of 5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate (CID 6946575) is 5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for 5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate?
The canonical SMILES for 5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate is Cc1oc(C(=O)[O-])cc1C[NH+]1CCOCC1.
What is the InChIKey of 5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate?
The InChIKey is RYGQPTJGYVABKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8-9(6-10(16-8)11(13)14)7-12-2-4-15-5-3-12/h6H,2-5,7H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate?
5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate has a molecular weight of 225.24 g/mol, XLogP of -1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 6946575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).