1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one

C15H19N3O2 — CID 90780199

IUPAC1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one
SMILESNc1cccc2cn(CCCN3CCCC3=O)c(O)c12
InChIInChI=1S/C15H19N3O2/c16-12-5-1-4-11-10-18(15(20)14(11)12)9-3-8-17-7-2-6-13(17)19/h1,4-5,10,20H,2-3,6-9,16H2
InChIKeyMSNGJWCEXUASPQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.94
Rot. Bonds4

About 1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one

1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one (PubChem CID 90780199) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one
PubChem CID90780199
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one
SMILESNc1cccc2cn(CCCN3CCCC3=O)c(O)c12
InChIInChI=1S/C15H19N3O2/c16-12-5-1-4-11-10-18(15(20)14(11)12)9-3-8-17-7-2-6-13(17)19/h1,4-5,10,20H,2-3,6-9,16H2
InChIKeyMSNGJWCEXUASPQ-UHFFFAOYSA-N
XLogP1.94
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-2-(4-hydroxybutyl)isoindol-1-ol
CID 91530709
1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 69380578
2-(7-amino-1-hydroxyisoindol-2-yl)acetonitrile
CID 91377153
1-[3-[2-(3-hydroxyphenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
CID 67608745
1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one
CID 63310672
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one
CID 63330941
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one (CID 90780199) is 1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one is Nc1cccc2cn(CCCN3CCCC3=O)c(O)c12.
What is the InChIKey of 1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one?
The InChIKey is MSNGJWCEXUASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-12-5-1-4-11-10-18(15(20)14(11)12)9-3-8-17-7-2-6-13(17)19/h1,4-5,10,20H,2-3,6-9,16H2.
What are the key properties of 1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one?
1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 90780199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).