1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

C20H20N2O3 — CID 59352498

IUPAC1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESNCCCN1C(=O)C2(COc3cc4c(cc32)CCO4)c2ccccc21
InChIInChI=1S/C20H20N2O3/c21-7-3-8-22-16-5-2-1-4-14(16)20(19(22)23)12-25-18-11-17-13(6-9-24-17)10-15(18)20/h1-2,4-5,10-11H,3,6-9,12,21H2
InChIKeyTXGNBBXUDSFGFN-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.00
Rot. Bonds3

About 1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (PubChem CID 59352498) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
PubChem CID59352498
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESNCCCN1C(=O)C2(COc3cc4c(cc32)CCO4)c2ccccc21
InChIInChI=1S/C20H20N2O3/c21-7-3-8-22-16-5-2-1-4-14(16)20(19(22)23)12-25-18-11-17-13(6-9-24-17)10-15(18)20/h1-2,4-5,10-11H,3,6-9,12,21H2
InChIKeyTXGNBBXUDSFGFN-UHFFFAOYSA-N
XLogP2.00
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (CID 59352498) is 1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is NCCCN1C(=O)C2(COc3cc4c(cc32)CCO4)c2ccccc21.
What is the InChIKey of 1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The InChIKey is TXGNBBXUDSFGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c21-7-3-8-22-16-5-2-1-4-14(16)20(19(22)23)12-25-18-11-17-13(6-9-24-17)10-15(18)20/h1-2,4-5,10-11H,3,6-9,12,21H2.
What are the key properties of 1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one has a molecular weight of 336.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).