methanol;4,5,6,7-tetrahydroisoindole-1,3-dione

C9H13NO3 — CID 67811692

IUPACmethanol;4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCO.O=C1NC(=O)C2=C1CCCC2
InChIInChI=1S/C8H9NO2.CH4O/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2/h1-4H2,(H,9,10,11);2H,1H3
InChIKeyIMPLOSPSUVFZLL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.12
Rot. Bonds

About methanol;4,5,6,7-tetrahydroisoindole-1,3-dione

methanol;4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 67811692) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methanol;4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Namemethanol;4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID67811692
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethanol;4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCO.O=C1NC(=O)C2=C1CCCC2
InChIInChI=1S/C8H9NO2.CH4O/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2/h1-4H2,(H,9,10,11);2H,1H3
InChIKeyIMPLOSPSUVFZLL-UHFFFAOYSA-N
XLogP0.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of methanol;4,5,6,7-tetrahydroisoindole-1,3-dione (CID 67811692) is methanol;4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for methanol;4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for methanol;4,5,6,7-tetrahydroisoindole-1,3-dione is CO.O=C1NC(=O)C2=C1CCCC2.
What is the InChIKey of methanol;4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is IMPLOSPSUVFZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.CH4O/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2/h1-4H2,(H,9,10,11);2H,1H3.
What are the key properties of methanol;4,5,6,7-tetrahydroisoindole-1,3-dione?
methanol;4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 183.21 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 67811692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).