4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione

C14H16N2O2 — CID 64686613

IUPAC4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
SMILESCC1(N2C(=O)c3cccc(N)c3C2=O)CCCC1
InChIInChI=1S/C14H16N2O2/c1-14(7-2-3-8-14)16-12(17)9-5-4-6-10(15)11(9)13(16)18/h4-6H,2-3,7-8,15H2,1H3
InChIKeyZLKRLZOXOSRLCA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.20
Rot. Bonds1

About 4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione

4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione (PubChem CID 64686613) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
PubChem CID64686613
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
SMILESCC1(N2C(=O)c3cccc(N)c3C2=O)CCCC1
InChIInChI=1S/C14H16N2O2/c1-14(7-2-3-8-14)16-12(17)9-5-4-6-10(15)11(9)13(16)18/h4-6H,2-3,7-8,15H2,1H3
InChIKeyZLKRLZOXOSRLCA-UHFFFAOYSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione (CID 64686613) is 4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione is CC1(N2C(=O)c3cccc(N)c3C2=O)CCCC1.
What is the InChIKey of 4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione?
The InChIKey is ZLKRLZOXOSRLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(7-2-3-8-14)16-12(17)9-5-4-6-10(15)11(9)13(16)18/h4-6H,2-3,7-8,15H2,1H3.
What are the key properties of 4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione?
4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione has a molecular weight of 244.29 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione is sourced from PubChem (CID 64686613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).