7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one

C14H15NO — CID 11275907

IUPAC7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one
SMILESO=C1C2CC=CCC2N1Cc1ccccc1
InChIInChI=1S/C14H15NO/c16-14-12-8-4-5-9-13(12)15(14)10-11-6-2-1-3-7-11/h1-7,12-13H,8-10H2
InChIKeyDLPCTWLRLHIHDV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.36
Rot. Bonds2

About 7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one

7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one (PubChem CID 11275907) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one.

Molecular Properties

Compound Name7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one
PubChem CID11275907
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one
SMILESO=C1C2CC=CCC2N1Cc1ccccc1
InChIInChI=1S/C14H15NO/c16-14-12-8-4-5-9-13(12)15(14)10-11-6-2-1-3-7-11/h1-7,12-13H,8-10H2
InChIKeyDLPCTWLRLHIHDV-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.36
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 7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one?
The IUPAC name of 7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one (CID 11275907) is 7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one.
What is the SMILES notation for 7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one?
The canonical SMILES for 7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one is O=C1C2CC=CCC2N1Cc1ccccc1.
What is the InChIKey of 7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one?
The InChIKey is DLPCTWLRLHIHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c16-14-12-8-4-5-9-13(12)15(14)10-11-6-2-1-3-7-11/h1-7,12-13H,8-10H2.
What are the key properties of 7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one?
7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one has a molecular weight of 213.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-7-azabicyclo[4.2.0]oct-3-en-8-one is sourced from PubChem (CID 11275907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).