2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide

C15H20N2O — CID 12833546

IUPAC2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide
SMILESO=C(CC12CCCN1CCC2)Nc1ccccc1
InChIInChI=1S/C15H20N2O/c18-14(16-13-6-2-1-3-7-13)12-15-8-4-10-17(15)11-5-9-15/h1-3,6-7H,4-5,8-12H2,(H,16,18)
InChIKeyOUSQHFMCQLHROP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.64
Rot. Bonds3

About 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide

2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide (PubChem CID 12833546) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide
PubChem CID12833546
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide
SMILESO=C(CC12CCCN1CCC2)Nc1ccccc1
InChIInChI=1S/C15H20N2O/c18-14(16-13-6-2-1-3-7-13)12-15-8-4-10-17(15)11-5-9-15/h1-3,6-7H,4-5,8-12H2,(H,16,18)
InChIKeyOUSQHFMCQLHROP-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide (CID 12833546) is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide is O=C(CC12CCCN1CCC2)Nc1ccccc1.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide?
The InChIKey is OUSQHFMCQLHROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14(16-13-6-2-1-3-7-13)12-15-8-4-10-17(15)11-5-9-15/h1-3,6-7H,4-5,8-12H2,(H,16,18).
What are the key properties of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide?
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide has a molecular weight of 244.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide is sourced from PubChem (CID 12833546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).