4-(5-ethenyl-3H-pyrrol-2-yl)piperidine

C11H16N2 — CID 142575162

IUPAC4-(5-ethenyl-3H-pyrrol-2-yl)piperidine
SMILESC=CC1=CCC(C2CCNCC2)=N1
InChIInChI=1S/C11H16N2/c1-2-10-3-4-11(13-10)9-5-7-12-8-6-9/h2-3,9,12H,1,4-8H2
InChIKeyOVEYOXWDGCNXSA-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.90
Rot. Bonds2

About 4-(5-ethenyl-3H-pyrrol-2-yl)piperidine

4-(5-ethenyl-3H-pyrrol-2-yl)piperidine (PubChem CID 142575162) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-(5-ethenyl-3H-pyrrol-2-yl)piperidine.

Molecular Properties

Compound Name4-(5-ethenyl-3H-pyrrol-2-yl)piperidine
PubChem CID142575162
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-(5-ethenyl-3H-pyrrol-2-yl)piperidine
SMILESC=CC1=CCC(C2CCNCC2)=N1
InChIInChI=1S/C11H16N2/c1-2-10-3-4-11(13-10)9-5-7-12-8-6-9/h2-3,9,12H,1,4-8H2
InChIKeyOVEYOXWDGCNXSA-UHFFFAOYSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethenyl-3H-pyrrol-2-yl)piperidine?
The IUPAC name of 4-(5-ethenyl-3H-pyrrol-2-yl)piperidine (CID 142575162) is 4-(5-ethenyl-3H-pyrrol-2-yl)piperidine.
What is the SMILES notation for 4-(5-ethenyl-3H-pyrrol-2-yl)piperidine?
The canonical SMILES for 4-(5-ethenyl-3H-pyrrol-2-yl)piperidine is C=CC1=CCC(C2CCNCC2)=N1.
What is the InChIKey of 4-(5-ethenyl-3H-pyrrol-2-yl)piperidine?
The InChIKey is OVEYOXWDGCNXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-10-3-4-11(13-10)9-5-7-12-8-6-9/h2-3,9,12H,1,4-8H2.
What are the key properties of 4-(5-ethenyl-3H-pyrrol-2-yl)piperidine?
4-(5-ethenyl-3H-pyrrol-2-yl)piperidine has a molecular weight of 176.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethenyl-3H-pyrrol-2-yl)piperidine is sourced from PubChem (CID 142575162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).