(1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate

C14H19NO4 — CID 75381047

IUPAC(1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate
SMILESCCc1oc(C(=O)OC2CCN(C(C)=O)C2)cc1C
InChIInChI=1S/C14H19NO4/c1-4-12-9(2)7-13(19-12)14(17)18-11-5-6-15(8-11)10(3)16/h7,11H,4-6,8H2,1-3H3
InChIKeyWDJWKQWNHZHJRU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds3

About (1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate

(1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate (PubChem CID 75381047) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate.

Molecular Properties

Compound Name(1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate
PubChem CID75381047
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate
SMILESCCc1oc(C(=O)OC2CCN(C(C)=O)C2)cc1C
InChIInChI=1S/C14H19NO4/c1-4-12-9(2)7-13(19-12)14(17)18-11-5-6-15(8-11)10(3)16/h7,11H,4-6,8H2,1-3H3
InChIKeyWDJWKQWNHZHJRU-UHFFFAOYSA-N
XLogP1.93
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate?
The IUPAC name of (1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate (CID 75381047) is (1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate.
What is the SMILES notation for (1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate?
The canonical SMILES for (1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate is CCc1oc(C(=O)OC2CCN(C(C)=O)C2)cc1C.
What is the InChIKey of (1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate?
The InChIKey is WDJWKQWNHZHJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-12-9(2)7-13(19-12)14(17)18-11-5-6-15(8-11)10(3)16/h7,11H,4-6,8H2,1-3H3.
What are the key properties of (1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate?
(1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpyrrolidin-3-yl) 5-ethyl-4-methylfuran-2-carboxylate is sourced from PubChem (CID 75381047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).