6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione

C10H6N2O3 — CID 91541128

IUPAC6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione
SMILESO=C1N=C2C(c3ccc(O)cc3)N2C1=O
InChIInChI=1S/C10H6N2O3/c13-6-3-1-5(2-4-6)7-8-11-9(14)10(15)12(7)8/h1-4,7,13H
InChIKeyLPCBFEAVBHDXDB-UHFFFAOYSA-N
MW202.17 g/mol
LogP0.21
Rot. Bonds1

About 6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione

6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione (PubChem CID 91541128) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione
PubChem CID91541128
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC Name6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione
SMILESO=C1N=C2C(c3ccc(O)cc3)N2C1=O
InChIInChI=1S/C10H6N2O3/c13-6-3-1-5(2-4-6)7-8-11-9(14)10(15)12(7)8/h1-4,7,13H
InChIKeyLPCBFEAVBHDXDB-UHFFFAOYSA-N
XLogP0.21
TPSA69.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-Hydroxyphenyl)-4,5-dihydroimidazol-1-yl]ethanone
CID 139215385
5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
CID 107693885
5-amino-3-ethyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
CID 107693888
5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-prop-2-enyl-4H-imidazol-2-one
CID 107693890
5-amino-3-(cyclopropylmethyl)-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
CID 107693892
5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one
CID 113990345
5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 113990346
2-butyl-1-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one
CID 57031878
8-benzyl-2-butyl-6-(4-hydroxyphenyl)-5,6-dihydro-2H-imidazo[1,2-a]pyrazin-3-one
CID 123410063
5-amino-4-(4-hydroxyphenyl)-3-propyl-4H-imidazol-2-one
CID 79960072
5-amino-3-cyclopropyl-4-(4-hydroxyphenyl)-4H-imidazol-2-one
CID 79960262
5-amino-4-(4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one
CID 79961442

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione?
The IUPAC name of 6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione (CID 91541128) is 6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione.
What is the SMILES notation for 6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione?
The canonical SMILES for 6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione is O=C1N=C2C(c3ccc(O)cc3)N2C1=O.
What is the InChIKey of 6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione?
The InChIKey is LPCBFEAVBHDXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c13-6-3-1-5(2-4-6)7-8-11-9(14)10(15)12(7)8/h1-4,7,13H.
What are the key properties of 6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione?
6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione has a molecular weight of 202.17 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-1,4-diazabicyclo[3.1.0]hex-4-ene-2,3-dione is sourced from PubChem (CID 91541128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).