5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione

C16H18N2O2 — CID 61310513

IUPAC5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NC3CC4CCC3C4)cc2C1=O
InChIInChI=1S/C16H18N2O2/c1-18-15(19)12-5-4-11(8-13(12)16(18)20)17-14-7-9-2-3-10(14)6-9/h4-5,8-10,14,17H,2-3,6-7H2,1H3
InChIKeyRXDBLRASSNODQW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.51
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione

5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione (PubChem CID 61310513) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione
PubChem CID61310513
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NC3CC4CCC3C4)cc2C1=O
InChIInChI=1S/C16H18N2O2/c1-18-15(19)12-5-4-11(8-13(12)16(18)20)17-14-7-9-2-3-10(14)6-9/h4-5,8-10,14,17H,2-3,6-7H2,1H3
InChIKeyRXDBLRASSNODQW-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione
CID 43759039
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile
CID 62743306
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 71902187
N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-4-amine
CID 61308966
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine
CID 98119478
1-N-(2-bicyclo[2.2.1]heptanyl)-4-ethylbenzene-1,3-diamine
CID 114245694
N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 62810365
1-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]imidazolidin-2-one
CID 61308981

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione (CID 61310513) is 5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(NC3CC4CCC3C4)cc2C1=O.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione?
The InChIKey is RXDBLRASSNODQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18-15(19)12-5-4-11(8-13(12)16(18)20)17-14-7-9-2-3-10(14)6-9/h4-5,8-10,14,17H,2-3,6-7H2,1H3.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione?
5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione has a molecular weight of 270.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 61310513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).