6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one

C15H15NO4 — CID 56625703

IUPAC6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one
SMILESCc1c(O)cc2oc3c(C)c(C)c(C)n3c(=O)c2c1O
InChIInChI=1S/C15H15NO4/c1-6-7(2)15-16(9(6)4)14(19)12-11(20-15)5-10(17)8(3)13(12)18/h5,17-18H,1-4H3
InChIKeyNTGZWWCUTLDMTO-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.69
Rot. Bonds

About 6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one

6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one (PubChem CID 56625703) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one.

Molecular Properties

Compound Name6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one
PubChem CID56625703
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one
SMILESCc1c(O)cc2oc3c(C)c(C)c(C)n3c(=O)c2c1O
InChIInChI=1S/C15H15NO4/c1-6-7(2)15-16(9(6)4)14(19)12-11(20-15)5-10(17)8(3)13(12)18/h5,17-18H,1-4H3
InChIKeyNTGZWWCUTLDMTO-UHFFFAOYSA-N
XLogP2.69
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 15838821
4-chloro-6-hydroxy-5-methyl-2-propan-2-yl-1,2-benzoxazol-3-one
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CID 146546193
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
CID 95048626
3,6,7-trihydroxy-2-methyl-9-oxoxanthen-1-olate
CID 143807466
3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
CID 11537197
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5,7-dihydroxy-4-methyl-6-(3-methylbutanoyl)chromen-2-one
CID 86288870
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one?
The IUPAC name of 6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one (CID 56625703) is 6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one.
What is the SMILES notation for 6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one?
The canonical SMILES for 6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one is Cc1c(O)cc2oc3c(C)c(C)c(C)n3c(=O)c2c1O.
What is the InChIKey of 6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one?
The InChIKey is NTGZWWCUTLDMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-6-7(2)15-16(9(6)4)14(19)12-11(20-15)5-10(17)8(3)13(12)18/h5,17-18H,1-4H3.
What are the key properties of 6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one?
6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one has a molecular weight of 273.29 g/mol, XLogP of 2.69, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-1,2,3,7-tetramethylpyrrolo[2,1-b][1,3]benzoxazin-9-one is sourced from PubChem (CID 56625703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).