7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one

C24H20N2O3 — CID 67929956

IUPAC7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESNc1ccc(N2CCCC2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H20N2O3/c25-17-11-12-18(26-13-5-6-14-26)22-21(17)23(27)29-24(22)15-7-1-3-9-19(15)28-20-10-4-2-8-16(20)24/h1-4,7-12H,5-6,13-14,25H2
InChIKeyNJWSCZDOEOAICY-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.44
Rot. Bonds1

About 7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one

7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 67929956) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID67929956
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESNc1ccc(N2CCCC2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H20N2O3/c25-17-11-12-18(26-13-5-6-14-26)22-21(17)23(27)29-24(22)15-7-1-3-9-19(15)28-20-10-4-2-8-16(20)24/h1-4,7-12H,5-6,13-14,25H2
InChIKeyNJWSCZDOEOAICY-UHFFFAOYSA-N
XLogP4.44
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 67929956) is 7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one is Nc1ccc(N2CCCC2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21.
What is the InChIKey of 7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is NJWSCZDOEOAICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c25-17-11-12-18(26-13-5-6-14-26)22-21(17)23(27)29-24(22)15-7-1-3-9-19(15)28-20-10-4-2-8-16(20)24/h1-4,7-12H,5-6,13-14,25H2.
What are the key properties of 7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one?
7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 384.44 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 67929956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).