(5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one

C8H11NO2 — CID 154480963

IUPAC(5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C1C(CCO)[C@H]2CC=CN12
InChIInChI=1S/C8H11NO2/c10-5-3-6-7-2-1-4-9(7)8(6)11/h1,4,6-7,10H,2-3,5H2/t6?,7-/m1/s1
InChIKeyAHLVSZHAYZEHBB-COBSHVIPSA-N
MW153.18 g/mol
LogP0.11
Rot. Bonds2

About (5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one

(5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 154480963) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name(5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID154480963
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C1C(CCO)[C@H]2CC=CN12
InChIInChI=1S/C8H11NO2/c10-5-3-6-7-2-1-4-9(7)8(6)11/h1,4,6-7,10H,2-3,5H2/t6?,7-/m1/s1
InChIKeyAHLVSZHAYZEHBB-COBSHVIPSA-N
XLogP0.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of (5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 154480963) is (5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for (5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for (5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one is O=C1C(CCO)[C@H]2CC=CN12.
What is the InChIKey of (5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is AHLVSZHAYZEHBB-COBSHVIPSA-N. The full InChI is InChI=1S/C8H11NO2/c10-5-3-6-7-2-1-4-9(7)8(6)11/h1,4,6-7,10H,2-3,5H2/t6?,7-/m1/s1.
What are the key properties of (5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one?
(5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 153.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-(2-hydroxyethyl)-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 154480963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).