3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide

C11H16N2O2 — CID 83209102

IUPAC3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide
SMILESNC(=O)CCn1cc2c(c1)C(O)CCC2
InChIInChI=1S/C11H16N2O2/c12-11(15)4-5-13-6-8-2-1-3-10(14)9(8)7-13/h6-7,10,14H,1-5H2,(H2,12,15)
InChIKeyMHDSYBIFYZKOES-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.73
Rot. Bonds3

About 3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide

3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide (PubChem CID 83209102) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide
PubChem CID83209102
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide
SMILESNC(=O)CCn1cc2c(c1)C(O)CCC2
InChIInChI=1S/C11H16N2O2/c12-11(15)4-5-13-6-8-2-1-3-10(14)9(8)7-13/h6-7,10,14H,1-5H2,(H2,12,15)
InChIKeyMHDSYBIFYZKOES-UHFFFAOYSA-N
XLogP0.73
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide?
The IUPAC name of 3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide (CID 83209102) is 3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide.
What is the SMILES notation for 3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide?
The canonical SMILES for 3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide is NC(=O)CCn1cc2c(c1)C(O)CCC2.
What is the InChIKey of 3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide?
The InChIKey is MHDSYBIFYZKOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-11(15)4-5-13-6-8-2-1-3-10(14)9(8)7-13/h6-7,10,14H,1-5H2,(H2,12,15).
What are the key properties of 3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide?
3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propanamide is sourced from PubChem (CID 83209102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).