1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]

C16H22N2O2 — CID 175176145

IUPAC1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
SMILESCN1CCC2(Cc3ccc(N4CCOCC4)cc3O2)C1
InChIInChI=1S/C16H22N2O2/c1-17-5-4-16(12-17)11-13-2-3-14(10-15(13)20-16)18-6-8-19-9-7-18/h2-3,10H,4-9,11-12H2,1H3
InChIKeyFHLZSWVHBKKZMH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.53
Rot. Bonds1

About 1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]

1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine] (PubChem CID 175176145) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine].

Molecular Properties

Compound Name1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
PubChem CID175176145
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
SMILESCN1CCC2(Cc3ccc(N4CCOCC4)cc3O2)C1
InChIInChI=1S/C16H22N2O2/c1-17-5-4-16(12-17)11-13-2-3-14(10-15(13)20-16)18-6-8-19-9-7-18/h2-3,10H,4-9,11-12H2,1H3
InChIKeyFHLZSWVHBKKZMH-UHFFFAOYSA-N
XLogP1.53
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]?
The IUPAC name of 1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine] (CID 175176145) is 1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine].
What is the SMILES notation for 1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]?
The canonical SMILES for 1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine] is CN1CCC2(Cc3ccc(N4CCOCC4)cc3O2)C1.
What is the InChIKey of 1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]?
The InChIKey is FHLZSWVHBKKZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17-5-4-16(12-17)11-13-2-3-14(10-15(13)20-16)18-6-8-19-9-7-18/h2-3,10H,4-9,11-12H2,1H3.
What are the key properties of 1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]?
1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine] has a molecular weight of 274.36 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine] is sourced from PubChem (CID 175176145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).