6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione

C7H7NO3 — CID 15448565

IUPAC6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
SMILESO=C1NC(=O)C2C(CO)=CC12
InChIInChI=1S/C7H7NO3/c9-2-3-1-4-5(3)7(11)8-6(4)10/h1,4-5,9H,2H2,(H,8,10,11)
InChIKeyVWYPPACEJLSUBL-UHFFFAOYSA-N
MW153.14 g/mol
LogP-1.19
Rot. Bonds1

About 6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione

6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione (PubChem CID 15448565) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione.

Molecular Properties

Compound Name6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
PubChem CID15448565
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
SMILESO=C1NC(=O)C2C(CO)=CC12
InChIInChI=1S/C7H7NO3/c9-2-3-1-4-5(3)7(11)8-6(4)10/h1,4-5,9H,2H2,(H,8,10,11)
InChIKeyVWYPPACEJLSUBL-UHFFFAOYSA-N
XLogP-1.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione?
The IUPAC name of 6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione (CID 15448565) is 6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione.
What is the SMILES notation for 6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione?
The canonical SMILES for 6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione is O=C1NC(=O)C2C(CO)=CC12.
What is the InChIKey of 6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione?
The InChIKey is VWYPPACEJLSUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-2-3-1-4-5(3)7(11)8-6(4)10/h1,4-5,9H,2H2,(H,8,10,11).
What are the key properties of 6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione?
6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione has a molecular weight of 153.14 g/mol, XLogP of -1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione is sourced from PubChem (CID 15448565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).