(6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one

C9H13NO — CID 162414011

IUPAC(6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one
SMILESO=C1N[C@H]2/C=C\CCCCC12
InChIInChI=1S/C9H13NO/c11-9-7-5-3-1-2-4-6-8(7)10-9/h4,6-8H,1-3,5H2,(H,10,11)/b6-4-/t7?,8-/m0/s1
InChIKeyXXGOAOFWGUZOGA-SKLOUGIOSA-N
MW151.21 g/mol
LogP1.23
Rot. Bonds

About (6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one

(6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one (PubChem CID 162414011) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one.

Molecular Properties

Compound Name(6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one
PubChem CID162414011
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one
SMILESO=C1N[C@H]2/C=C\CCCCC12
InChIInChI=1S/C9H13NO/c11-9-7-5-3-1-2-4-6-8(7)10-9/h4,6-8H,1-3,5H2,(H,10,11)/b6-4-/t7?,8-/m0/s1
InChIKeyXXGOAOFWGUZOGA-SKLOUGIOSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
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 (6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one?
The IUPAC name of (6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one (CID 162414011) is (6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one.
What is the SMILES notation for (6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one?
The canonical SMILES for (6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one is O=C1N[C@H]2/C=C\CCCCC12.
What is the InChIKey of (6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one?
The InChIKey is XXGOAOFWGUZOGA-SKLOUGIOSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-7-5-3-1-2-4-6-8(7)10-9/h4,6-8H,1-3,5H2,(H,10,11)/b6-4-/t7?,8-/m0/s1.
What are the key properties of (6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one?
(6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one has a molecular weight of 151.21 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8S)-9-azabicyclo[6.2.0]dec-6-en-10-one is sourced from PubChem (CID 162414011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).