1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]

C17H20N2O — CID 15571627

IUPAC1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCN1CCC2(CC1)Oc1ccccc1C2n1cccc1
InChIInChI=1S/C17H20N2O/c1-18-12-8-17(9-13-18)16(19-10-4-5-11-19)14-6-2-3-7-15(14)20-17/h2-7,10-11,16H,8-9,12-13H2,1H3
InChIKeyZUAMGAODWYGAHS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.93
Rot. Bonds1

About 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]

1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 15571627) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID15571627
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCN1CCC2(CC1)Oc1ccccc1C2n1cccc1
InChIInChI=1S/C17H20N2O/c1-18-12-8-17(9-13-18)16(19-10-4-5-11-19)14-6-2-3-7-15(14)20-17/h2-7,10-11,16H,8-9,12-13H2,1H3
InChIKeyZUAMGAODWYGAHS-UHFFFAOYSA-N
XLogP2.93
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] (CID 15571627) is 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] is CN1CCC2(CC1)Oc1ccccc1C2n1cccc1.
What is the InChIKey of 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is ZUAMGAODWYGAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-12-8-17(9-13-18)16(19-10-4-5-11-19)14-6-2-3-7-15(14)20-17/h2-7,10-11,16H,8-9,12-13H2,1H3.
What are the key properties of 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 268.36 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 15571627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).