5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one

C10H10N2O2 — CID 141461995

IUPAC5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one
SMILESNc1cc2c(c3c1OCC3)CNC2=O
InChIInChI=1S/C10H10N2O2/c11-8-3-6-7(4-12-10(6)13)5-1-2-14-9(5)8/h3H,1-2,4,11H2,(H,12,13)
InChIKeyOIKPTOQEEWPKBN-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.45
Rot. Bonds

About 5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one

5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one (PubChem CID 141461995) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one.

Molecular Properties

Compound Name5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one
PubChem CID141461995
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one
SMILESNc1cc2c(c3c1OCC3)CNC2=O
InChIInChI=1S/C10H10N2O2/c11-8-3-6-7(4-12-10(6)13)5-1-2-14-9(5)8/h3H,1-2,4,11H2,(H,12,13)
InChIKeyOIKPTOQEEWPKBN-UHFFFAOYSA-N
XLogP0.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one?
The IUPAC name of 5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one (CID 141461995) is 5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one.
What is the SMILES notation for 5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one?
The canonical SMILES for 5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one is Nc1cc2c(c3c1OCC3)CNC2=O.
What is the InChIKey of 5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one?
The InChIKey is OIKPTOQEEWPKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-8-3-6-7(4-12-10(6)13)5-1-2-14-9(5)8/h3H,1-2,4,11H2,(H,12,13).
What are the key properties of 5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one?
5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one has a molecular weight of 190.20 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,2,7,8-tetrahydrofuro[3,2-e]isoindol-3-one is sourced from PubChem (CID 141461995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).