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

C16H18N2O — CID 15571630

IUPAC3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESc1ccc2c(c1)OC1(CCNCC1)C2n1cccc1
InChIInChI=1S/C16H18N2O/c1-2-6-14-13(5-1)15(18-11-3-4-12-18)16(19-14)7-9-17-10-8-16/h1-6,11-12,15,17H,7-10H2
InChIKeySWOUKRUCSQVIAI-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.59
Rot. Bonds1

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

3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 15571630) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID15571630
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESc1ccc2c(c1)OC1(CCNCC1)C2n1cccc1
InChIInChI=1S/C16H18N2O/c1-2-6-14-13(5-1)15(18-11-3-4-12-18)16(19-14)7-9-17-10-8-16/h1-6,11-12,15,17H,7-10H2
InChIKeySWOUKRUCSQVIAI-UHFFFAOYSA-N
XLogP2.59
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] (CID 15571630) is 3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] is c1ccc2c(c1)OC1(CCNCC1)C2n1cccc1.
What is the InChIKey of 3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is SWOUKRUCSQVIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-6-14-13(5-1)15(18-11-3-4-12-18)16(19-14)7-9-17-10-8-16/h1-6,11-12,15,17H,7-10H2.
What are the key properties of 3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]?
3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 254.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 15571630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).