6-(hydroxymethyl)isoindol-1-one

C9H7NO2 — CID 157023217

IUPAC6-(hydroxymethyl)isoindol-1-one
SMILESO=C1N=Cc2ccc(CO)cc21
InChIInChI=1S/C9H7NO2/c11-5-6-1-2-7-4-10-9(12)8(7)3-6/h1-4,11H,5H2
InChIKeyVBLHMNCOVHEYKH-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.75
Rot. Bonds1

About 6-(hydroxymethyl)isoindol-1-one

6-(hydroxymethyl)isoindol-1-one (PubChem CID 157023217) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-(hydroxymethyl)isoindol-1-one.

Molecular Properties

Compound Name6-(hydroxymethyl)isoindol-1-one
PubChem CID157023217
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name6-(hydroxymethyl)isoindol-1-one
SMILESO=C1N=Cc2ccc(CO)cc21
InChIInChI=1S/C9H7NO2/c11-5-6-1-2-7-4-10-9(12)8(7)3-6/h1-4,11H,5H2
InChIKeyVBLHMNCOVHEYKH-UHFFFAOYSA-N
XLogP0.75
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenylmethanol
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[8-(hydroxymethyl)-5-oxodibenzothiophen-2-yl]methanol
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6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione
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[4-fluoro-3-(4-fluorophenyl)phenyl]methanol
CID 46312404
[6-(hydroxymethyl)naphthalen-2-yl]methanol
CID 11788722
isoquinoline-3,4-dione
CID 57252466
7-(hydroxymethyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526353
7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)isoindol-1-one?
The IUPAC name of 6-(hydroxymethyl)isoindol-1-one (CID 157023217) is 6-(hydroxymethyl)isoindol-1-one.
What is the SMILES notation for 6-(hydroxymethyl)isoindol-1-one?
The canonical SMILES for 6-(hydroxymethyl)isoindol-1-one is O=C1N=Cc2ccc(CO)cc21.
What is the InChIKey of 6-(hydroxymethyl)isoindol-1-one?
The InChIKey is VBLHMNCOVHEYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-5-6-1-2-7-4-10-9(12)8(7)3-6/h1-4,11H,5H2.
What are the key properties of 6-(hydroxymethyl)isoindol-1-one?
6-(hydroxymethyl)isoindol-1-one has a molecular weight of 161.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)isoindol-1-one is sourced from PubChem (CID 157023217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).