6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one

C13H16N2O — CID 117308363

IUPAC6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(C3(N)CCC3)cc2C1=O
InChIInChI=1S/C13H16N2O/c1-15-8-9-3-4-10(7-11(9)12(15)16)13(14)5-2-6-13/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyWAVLNOAHHHCVPA-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.61
Rot. Bonds1

About 6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one

6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one (PubChem CID 117308363) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one
PubChem CID117308363
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(C3(N)CCC3)cc2C1=O
InChIInChI=1S/C13H16N2O/c1-15-8-9-3-4-10(7-11(9)12(15)16)13(14)5-2-6-13/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyWAVLNOAHHHCVPA-UHFFFAOYSA-N
XLogP1.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one (CID 117308363) is 6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one is CN1Cc2ccc(C3(N)CCC3)cc2C1=O.
What is the InChIKey of 6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one?
The InChIKey is WAVLNOAHHHCVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-8-9-3-4-10(7-11(9)12(15)16)13(14)5-2-6-13/h3-4,7H,2,5-6,8,14H2,1H3.
What are the key properties of 6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one?
6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one has a molecular weight of 216.28 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclobutyl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 117308363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).