(2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one

C12H13NO2 — CID 101357421

IUPAC(2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one
SMILESO=C1c2ccccc2[C@@H]2C[C@H](O)CCN12
InChIInChI=1S/C12H13NO2/c14-8-5-6-13-11(7-8)9-3-1-2-4-10(9)12(13)15/h1-4,8,11,14H,5-7H2/t8-,11+/m1/s1
InChIKeyWSNLQYFXASOJPE-KCJUWKMLSA-N
MW203.24 g/mol
LogP1.34
Rot. Bonds

About (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one

(2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one (PubChem CID 101357421) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name(2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one
PubChem CID101357421
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one
SMILESO=C1c2ccccc2[C@@H]2C[C@H](O)CCN12
InChIInChI=1S/C12H13NO2/c14-8-5-6-13-11(7-8)9-3-1-2-4-10(9)12(13)15/h1-4,8,11,14H,5-7H2/t8-,11+/m1/s1
InChIKeyWSNLQYFXASOJPE-KCJUWKMLSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one with MolForge

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Related Compounds

N-ethyl-2,2-dimethyl-N-[(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl)methyl]propanamide
CID 138975928
3-methyl-2,3,4,4a-tetrahydro-1H-pyrimido[1,6-b]isoindol-9-one
CID 12901808
2-(6-oxo-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-2-yl)acetic acid
CID 12901798
2-tert-butyl-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one
CID 71029773
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaen-2-one
CID 102593110
(10bS)-2-(2-methylpropanoyl)-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one;hydrochloride
CID 155856479
1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(4-oxo-1H-quinolin-2-yl)urea
CID 67135501
1-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrazin-2-ylurea
CID 67471497
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 79030827

Frequently Asked Questions

What is the IUPAC name of (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one?
The IUPAC name of (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one (CID 101357421) is (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one.
What is the SMILES notation for (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one?
The canonical SMILES for (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one is O=C1c2ccccc2[C@@H]2C[C@H](O)CCN12.
What is the InChIKey of (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one?
The InChIKey is WSNLQYFXASOJPE-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H13NO2/c14-8-5-6-13-11(7-8)9-3-1-2-4-10(9)12(13)15/h1-4,8,11,14H,5-7H2/t8-,11+/m1/s1.
What are the key properties of (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one?
(2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one has a molecular weight of 203.24 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10bS)-2-hydroxy-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one is sourced from PubChem (CID 101357421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).