(3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one

C13H15NO2 — CID 139584397

IUPAC(3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one
SMILESCC(C)=CCc1ccc2c(c1)NC(=O)[C@@H]2O
InChIInChI=1S/C13H15NO2/c1-8(2)3-4-9-5-6-10-11(7-9)14-13(16)12(10)15/h3,5-7,12,15H,4H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyVDXLXRFOBZYOIJ-GFCCVEGCSA-N
MW217.27 g/mol
LogP2.18
Rot. Bonds2

About (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one

(3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one (PubChem CID 139584397) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one
PubChem CID139584397
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one
SMILESCC(C)=CCc1ccc2c(c1)NC(=O)[C@@H]2O
InChIInChI=1S/C13H15NO2/c1-8(2)3-4-9-5-6-10-11(7-9)14-13(16)12(10)15/h3,5-7,12,15H,4H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyVDXLXRFOBZYOIJ-GFCCVEGCSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one (CID 139584397) is (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one is CC(C)=CCc1ccc2c(c1)NC(=O)[C@@H]2O.
What is the InChIKey of (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one?
The InChIKey is VDXLXRFOBZYOIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8(2)3-4-9-5-6-10-11(7-9)14-13(16)12(10)15/h3,5-7,12,15H,4H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one?
(3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-6-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 139584397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).