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

C19H24N2O — CID 15571636

IUPAC1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCCCN1CCC2(CC1)Oc1ccccc1C2n1cccc1
InChIInChI=1S/C19H24N2O/c1-2-11-20-14-9-19(10-15-20)18(21-12-5-6-13-21)16-7-3-4-8-17(16)22-19/h3-8,12-13,18H,2,9-11,14-15H2,1H3
InChIKeyOTFVOSIKPABOEM-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.71
Rot. Bonds3

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

1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 15571636) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID15571636
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCCCN1CCC2(CC1)Oc1ccccc1C2n1cccc1
InChIInChI=1S/C19H24N2O/c1-2-11-20-14-9-19(10-15-20)18(21-12-5-6-13-21)16-7-3-4-8-17(16)22-19/h3-8,12-13,18H,2,9-11,14-15H2,1H3
InChIKeyOTFVOSIKPABOEM-UHFFFAOYSA-N
XLogP3.71
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-propyl-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'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] (CID 15571636) is 1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] is CCCN1CCC2(CC1)Oc1ccccc1C2n1cccc1.
What is the InChIKey of 1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is OTFVOSIKPABOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-11-20-14-9-19(10-15-20)18(21-12-5-6-13-21)16-7-3-4-8-17(16)22-19/h3-8,12-13,18H,2,9-11,14-15H2,1H3.
What are the key properties of 1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 296.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 15571636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).