5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one

C8H9NO2 — CID 12678719

IUPAC5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one
SMILESC=CCOC1=CC2NC(=O)C12
InChIInChI=1S/C8H9NO2/c1-2-3-11-6-4-5-7(6)8(10)9-5/h2,4-5,7H,1,3H2,(H,9,10)
InChIKeyMYHFTPKJGUFOQX-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.20
Rot. Bonds3

About 5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one

5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one (PubChem CID 12678719) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one.

Molecular Properties

Compound Name5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one
PubChem CID12678719
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one
SMILESC=CCOC1=CC2NC(=O)C12
InChIInChI=1S/C8H9NO2/c1-2-3-11-6-4-5-7(6)8(10)9-5/h2,4-5,7H,1,3H2,(H,9,10)
InChIKeyMYHFTPKJGUFOQX-UHFFFAOYSA-N
XLogP0.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one?
The IUPAC name of 5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one (CID 12678719) is 5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one.
What is the SMILES notation for 5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one?
The canonical SMILES for 5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one is C=CCOC1=CC2NC(=O)C12.
What is the InChIKey of 5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one?
The InChIKey is MYHFTPKJGUFOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-3-11-6-4-5-7(6)8(10)9-5/h2,4-5,7H,1,3H2,(H,9,10).
What are the key properties of 5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one?
5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one has a molecular weight of 151.16 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxy-2-azabicyclo[2.2.0]hex-5-en-3-one is sourced from PubChem (CID 12678719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).