[(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone

C15H21NO4 — CID 124799707

IUPAC[(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone
SMILESCOCC[C@H]1CO[C@H]2CN(C(=O)c3ccc(C)o3)C[C@@H]12
InChIInChI=1S/C15H21NO4/c1-10-3-4-13(20-10)15(17)16-7-12-11(5-6-18-2)9-19-14(12)8-16/h3-4,11-12,14H,5-9H2,1-2H3/t11-,12-,14-/m0/s1
InChIKeyPQSMAJLXPQDMIE-OBJOEFQTSA-N
MW279.34 g/mol
LogP1.71
Rot. Bonds4

About [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone

[(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 124799707) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone
PubChem CID124799707
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone
SMILESCOCC[C@H]1CO[C@H]2CN(C(=O)c3ccc(C)o3)C[C@@H]12
InChIInChI=1S/C15H21NO4/c1-10-3-4-13(20-10)15(17)16-7-12-11(5-6-18-2)9-19-14(12)8-16/h3-4,11-12,14H,5-9H2,1-2H3/t11-,12-,14-/m0/s1
InChIKeyPQSMAJLXPQDMIE-OBJOEFQTSA-N
XLogP1.71
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone (CID 124799707) is [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone is COCC[C@H]1CO[C@H]2CN(C(=O)c3ccc(C)o3)C[C@@H]12.
What is the InChIKey of [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is PQSMAJLXPQDMIE-OBJOEFQTSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-3-4-13(20-10)15(17)16-7-12-11(5-6-18-2)9-19-14(12)8-16/h3-4,11-12,14H,5-9H2,1-2H3/t11-,12-,14-/m0/s1.
What are the key properties of [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone?
[(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6aR)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 124799707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).