(2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one

C11H13NO3 — CID 143478952

IUPAC(2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one
SMILESO=C([C@H](O)CO)N1Cc2ccccc2C1
InChIInChI=1S/C11H13NO3/c13-7-10(14)11(15)12-5-8-3-1-2-4-9(8)6-12/h1-4,10,13-14H,5-7H2/t10-/m1/s1
InChIKeyMSPLRGPLAWHRES-SNVBAGLBSA-N
MW207.23 g/mol
LogP-0.12
Rot. Bonds2

About (2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one

(2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one (PubChem CID 143478952) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one
PubChem CID143478952
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one
SMILESO=C([C@H](O)CO)N1Cc2ccccc2C1
InChIInChI=1S/C11H13NO3/c13-7-10(14)11(15)12-5-8-3-1-2-4-9(8)6-12/h1-4,10,13-14H,5-7H2/t10-/m1/s1
InChIKeyMSPLRGPLAWHRES-SNVBAGLBSA-N
XLogP-0.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210
(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxybutan-1-one
CID 143154451
1-(1,3-dihydroisoindol-2-yl)-2-sulfanylpropan-1-one
CID 107028048
2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-(2,3-dihydroxypropyl)phenyl]propan-1-one
CID 69192437
2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one
CID 69192434
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647686
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647685
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)pentan-1-one
CID 94373290
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 62232341
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 69186107
3-(1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropanenitrile
CID 62231351
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-one
CID 55049812

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one?
The IUPAC name of (2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one (CID 143478952) is (2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one.
What is the SMILES notation for (2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one?
The canonical SMILES for (2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one is O=C([C@H](O)CO)N1Cc2ccccc2C1.
What is the InChIKey of (2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one?
The InChIKey is MSPLRGPLAWHRES-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO3/c13-7-10(14)11(15)12-5-8-3-1-2-4-9(8)6-12/h1-4,10,13-14H,5-7H2/t10-/m1/s1.
What are the key properties of (2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one?
(2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one has a molecular weight of 207.23 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one is sourced from PubChem (CID 143478952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).