2-butyl-5-(methylamino)isoindole-1,3-dione

C13H16N2O2 — CID 117006264

IUPAC2-butyl-5-(methylamino)isoindole-1,3-dione
SMILESCCCCN1C(=O)c2ccc(NC)cc2C1=O
InChIInChI=1S/C13H16N2O2/c1-3-4-7-15-12(16)10-6-5-9(14-2)8-11(10)13(15)17/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyQZNQFDOQOBAYBI-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.12
Rot. Bonds4

About 2-butyl-5-(methylamino)isoindole-1,3-dione

2-butyl-5-(methylamino)isoindole-1,3-dione (PubChem CID 117006264) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-butyl-5-(methylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-butyl-5-(methylamino)isoindole-1,3-dione
PubChem CID117006264
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-butyl-5-(methylamino)isoindole-1,3-dione
SMILESCCCCN1C(=O)c2ccc(NC)cc2C1=O
InChIInChI=1S/C13H16N2O2/c1-3-4-7-15-12(16)10-6-5-9(14-2)8-11(10)13(15)17/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyQZNQFDOQOBAYBI-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.12
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

2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
5,6-dibromo-2-butylisoindole-1,3-dione
CID 167440985
5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
5-(butylamino)-2-methylisoindole-1,3-dione
CID 14911570
5-amino-2-decylisoindole-1,3-dione
CID 132514130
5-fluoro-2-nonylisoindole-1,3-dione
CID 3089281
2-dodecyl-5-fluoroisoindole-1,3-dione
CID 3089285
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
CID 57006910
CID 57006910
7,18-dibutyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 139206036
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(methylamino)isoindole-1,3-dione?
The IUPAC name of 2-butyl-5-(methylamino)isoindole-1,3-dione (CID 117006264) is 2-butyl-5-(methylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-butyl-5-(methylamino)isoindole-1,3-dione?
The canonical SMILES for 2-butyl-5-(methylamino)isoindole-1,3-dione is CCCCN1C(=O)c2ccc(NC)cc2C1=O.
What is the InChIKey of 2-butyl-5-(methylamino)isoindole-1,3-dione?
The InChIKey is QZNQFDOQOBAYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-4-7-15-12(16)10-6-5-9(14-2)8-11(10)13(15)17/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of 2-butyl-5-(methylamino)isoindole-1,3-dione?
2-butyl-5-(methylamino)isoindole-1,3-dione has a molecular weight of 232.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(methylamino)isoindole-1,3-dione is sourced from PubChem (CID 117006264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).