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

C18H22N2O — CID 15571638

IUPAC1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCCN1CCC2(CC1)Oc1ccccc1C2n1cccc1
InChIInChI=1S/C18H22N2O/c1-2-19-13-9-18(10-14-19)17(20-11-5-6-12-20)15-7-3-4-8-16(15)21-18/h3-8,11-12,17H,2,9-10,13-14H2,1H3
InChIKeyPVXDYWQXFSVTML-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.32
Rot. Bonds2

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

1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 15571638) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID15571638
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCCN1CCC2(CC1)Oc1ccccc1C2n1cccc1
InChIInChI=1S/C18H22N2O/c1-2-19-13-9-18(10-14-19)17(20-11-5-6-12-20)15-7-3-4-8-16(15)21-18/h3-8,11-12,17H,2,9-10,13-14H2,1H3
InChIKeyPVXDYWQXFSVTML-UHFFFAOYSA-N
XLogP3.32
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] (CID 15571638) is 1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] is CCN1CCC2(CC1)Oc1ccccc1C2n1cccc1.
What is the InChIKey of 1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is PVXDYWQXFSVTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-19-13-9-18(10-14-19)17(20-11-5-6-12-20)15-7-3-4-8-16(15)21-18/h3-8,11-12,17H,2,9-10,13-14H2,1H3.
What are the key properties of 1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 282.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 15571638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).