1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone

C11H19NO — CID 172577752

IUPAC1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone
SMILESCC[C@@]12CCCN1CC(C(C)=O)C2
InChIInChI=1S/C11H19NO/c1-3-11-5-4-6-12(11)8-10(7-11)9(2)13/h10H,3-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyJGSNAVIBCBKXFH-DTIOYNMSSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds2

About 1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone

1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone (PubChem CID 172577752) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone
PubChem CID172577752
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone
SMILESCC[C@@]12CCCN1CC(C(C)=O)C2
InChIInChI=1S/C11H19NO/c1-3-11-5-4-6-12(11)8-10(7-11)9(2)13/h10H,3-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyJGSNAVIBCBKXFH-DTIOYNMSSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone?
The IUPAC name of 1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone (CID 172577752) is 1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone.
What is the SMILES notation for 1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone?
The canonical SMILES for 1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone is CC[C@@]12CCCN1CC(C(C)=O)C2.
What is the InChIKey of 1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone?
The InChIKey is JGSNAVIBCBKXFH-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-11-5-4-6-12(11)8-10(7-11)9(2)13/h10H,3-8H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of 1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone?
1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone is sourced from PubChem (CID 172577752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).