(5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one

C8H11NO — CID 67830163

IUPAC(5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one
SMILESCC=C1C(=O)N2CCC[C@H]12
InChIInChI=1S/C8H11NO/c1-2-6-7-4-3-5-9(7)8(6)10/h2,7H,3-5H2,1H3/t7-/m1/s1
InChIKeyFBJZRNFDJUVYQF-SSDOTTSWSA-N
MW137.18 g/mol
LogP0.94
Rot. Bonds

About (5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one

(5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 67830163) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID67830163
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one
SMILESCC=C1C(=O)N2CCC[C@H]12
InChIInChI=1S/C8H11NO/c1-2-6-7-4-3-5-9(7)8(6)10/h2,7H,3-5H2,1H3/t7-/m1/s1
InChIKeyFBJZRNFDJUVYQF-SSDOTTSWSA-N
XLogP0.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one (CID 67830163) is (5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one is CC=C1C(=O)N2CCC[C@H]12.
What is the InChIKey of (5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is FBJZRNFDJUVYQF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-6-7-4-3-5-9(7)8(6)10/h2,7H,3-5H2,1H3/t7-/m1/s1.
What are the key properties of (5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one?
(5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 137.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-ethylidene-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 67830163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).