6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one

C10H10N2O3 — CID 121215736

IUPAC6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one
SMILESNN1Cc2cc3c(cc2CC1=O)OCO3
InChIInChI=1S/C10H10N2O3/c11-12-4-7-2-9-8(14-5-15-9)1-6(7)3-10(12)13/h1-2H,3-5,11H2
InChIKeyGZHOGMADCQKYOJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.17
Rot. Bonds

About 6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one

6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one (PubChem CID 121215736) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one.

Molecular Properties

Compound Name6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one
PubChem CID121215736
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one
SMILESNN1Cc2cc3c(cc2CC1=O)OCO3
InChIInChI=1S/C10H10N2O3/c11-12-4-7-2-9-8(14-5-15-9)1-6(7)3-10(12)13/h1-2H,3-5,11H2
InChIKeyGZHOGMADCQKYOJ-UHFFFAOYSA-N
XLogP0.17
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one
CID 135021934
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
cyclopenta[f][1,3]benzodioxole-5,7-dione
CID 11127061
5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine
CID 168797077
6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
CID 10944996
6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione
CID 134830941
(1S,15S,19R)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-13-one
CID 12068655
(1R)-5,7-dioxa-12-azatetracyclo[10.5.2.02,10.04,8]nonadeca-2,4(8),9-triene-13,17-dione
CID 102210969
6-(1,3-benzodioxol-5-ylsulfonyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 110601698
5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine;hydrochloride
CID 168797076
(5aR,8aR)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one
CID 71220428
(6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one
CID 134967336

Frequently Asked Questions

What is the IUPAC name of 6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one?
The IUPAC name of 6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one (CID 121215736) is 6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one.
What is the SMILES notation for 6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one?
The canonical SMILES for 6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one is NN1Cc2cc3c(cc2CC1=O)OCO3.
What is the InChIKey of 6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one?
The InChIKey is GZHOGMADCQKYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-12-4-7-2-9-8(14-5-15-9)1-6(7)3-10(12)13/h1-2H,3-5,11H2.
What are the key properties of 6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one?
6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one has a molecular weight of 206.20 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one is sourced from PubChem (CID 121215736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).