3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione

C14H15NO3 — CID 130184890

IUPAC3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione
SMILESCC1C(C)C2C(=O)N(c3ccccc3O)C(=O)C12
InChIInChI=1S/C14H15NO3/c1-7-8(2)12-11(7)13(17)15(14(12)18)9-5-3-4-6-10(9)16/h3-8,11-12,16H,1-2H3
InChIKeyQWGHYODMMOEXIA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.78
Rot. Bonds1

About 3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione

3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione (PubChem CID 130184890) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione
PubChem CID130184890
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione
SMILESCC1C(C)C2C(=O)N(c3ccccc3O)C(=O)C12
InChIInChI=1S/C14H15NO3/c1-7-8(2)12-11(7)13(17)15(14(12)18)9-5-3-4-6-10(9)16/h3-8,11-12,16H,1-2H3
InChIKeyQWGHYODMMOEXIA-UHFFFAOYSA-N
XLogP1.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The IUPAC name of 3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione (CID 130184890) is 3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The canonical SMILES for 3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione is CC1C(C)C2C(=O)N(c3ccccc3O)C(=O)C12.
What is the InChIKey of 3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
The InChIKey is QWGHYODMMOEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-7-8(2)12-11(7)13(17)15(14(12)18)9-5-3-4-6-10(9)16/h3-8,11-12,16H,1-2H3.
What are the key properties of 3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione?
3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-6,7-dimethyl-3-azabicyclo[3.2.0]heptane-2,4-dione is sourced from PubChem (CID 130184890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).