azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione

C13H16N2O3 — CID 138706686

IUPACazane;2-(3-methoxycyclobutyl)isoindole-1,3-dione
SMILESCOC1CC(N2C(=O)c3ccccc3C2=O)C1.N
InChIInChI=1S/C13H13NO3.H3N/c1-17-9-6-8(7-9)14-12(15)10-4-2-3-5-11(10)13(14)16;/h2-5,8-9H,6-7H2,1H3;1H3
InChIKeyOLZDTLWMWXZZCL-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.62
Rot. Bonds2

About azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione

azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione (PubChem CID 138706686) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione.

Molecular Properties

Compound Nameazane;2-(3-methoxycyclobutyl)isoindole-1,3-dione
PubChem CID138706686
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameazane;2-(3-methoxycyclobutyl)isoindole-1,3-dione
SMILESCOC1CC(N2C(=O)c3ccccc3C2=O)C1.N
InChIInChI=1S/C13H13NO3.H3N/c1-17-9-6-8(7-9)14-12(15)10-4-2-3-5-11(10)13(14)16;/h2-5,8-9H,6-7H2,1H3;1H3
InChIKeyOLZDTLWMWXZZCL-UHFFFAOYSA-N
XLogP1.62
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione?
The IUPAC name of azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione (CID 138706686) is azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione.
What is the SMILES notation for azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione?
The canonical SMILES for azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione is COC1CC(N2C(=O)c3ccccc3C2=O)C1.N.
What is the InChIKey of azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione?
The InChIKey is OLZDTLWMWXZZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3.H3N/c1-17-9-6-8(7-9)14-12(15)10-4-2-3-5-11(10)13(14)16;/h2-5,8-9H,6-7H2,1H3;1H3.
What are the key properties of azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione?
azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione has a molecular weight of 248.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione is sourced from PubChem (CID 138706686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).