(4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one

C8H11NO — CID 67830150

IUPAC(4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one
SMILESC/C=C1/CCN2C(=O)C[C@@H]12
InChIInChI=1S/C8H11NO/c1-2-6-3-4-9-7(6)5-8(9)10/h2,7H,3-5H2,1H3/b6-2-/t7-/m0/s1
InChIKeyWJSTYYFYJVNYFL-OUKKNOHXSA-N
MW137.18 g/mol
LogP0.94
Rot. Bonds

About (4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one

(4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 67830150) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID67830150
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one
SMILESC/C=C1/CCN2C(=O)C[C@@H]12
InChIInChI=1S/C8H11NO/c1-2-6-3-4-9-7(6)5-8(9)10/h2,7H,3-5H2,1H3/b6-2-/t7-/m0/s1
InChIKeyWJSTYYFYJVNYFL-OUKKNOHXSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one (CID 67830150) is (4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one is C/C=C1/CCN2C(=O)C[C@@H]12.
What is the InChIKey of (4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is WJSTYYFYJVNYFL-OUKKNOHXSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-6-3-4-9-7(6)5-8(9)10/h2,7H,3-5H2,1H3/b6-2-/t7-/m0/s1.
What are the key properties of (4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one?
(4Z,5S)-4-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 (4Z,5S)-4-ethylidene-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 67830150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).