6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one

C11H7NO4 — CID 11252923

IUPAC6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one
SMILESO=c1c2c(O)cc(O)cc2oc2cccn12
InChIInChI=1S/C11H7NO4/c13-6-4-7(14)10-8(5-6)16-9-2-1-3-12(9)11(10)15/h1-5,13-14H
InChIKeySEQZFUWODUNSSQ-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.46
Rot. Bonds

About 6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one

6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one (PubChem CID 11252923) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one.

Molecular Properties

Compound Name6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one
PubChem CID11252923
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one
SMILESO=c1c2c(O)cc(O)cc2oc2cccn12
InChIInChI=1S/C11H7NO4/c13-6-4-7(14)10-8(5-6)16-9-2-1-3-12(9)11(10)15/h1-5,13-14H
InChIKeySEQZFUWODUNSSQ-UHFFFAOYSA-N
XLogP1.46
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dihydroxyxanthen-9-one
CID 5488193
4-(chloromethyl)-5,7-dihydroxychromen-2-one
CID 11379152
1,3-dihydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
CID 10265646
1,3,8-trihydroxy-5-sulfanylxanthen-9-one
CID 141458514
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 6477679
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one?
The IUPAC name of 6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one (CID 11252923) is 6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one.
What is the SMILES notation for 6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one?
The canonical SMILES for 6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one is O=c1c2c(O)cc(O)cc2oc2cccn12.
What is the InChIKey of 6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one?
The InChIKey is SEQZFUWODUNSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-6-4-7(14)10-8(5-6)16-9-2-1-3-12(9)11(10)15/h1-5,13-14H.
What are the key properties of 6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one?
6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one has a molecular weight of 217.18 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxypyrrolo[2,1-b][1,3]benzoxazin-9-one is sourced from PubChem (CID 11252923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).