7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one

C9H8N2O3 — CID 82491055

IUPAC7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
SMILESNC1C(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C9H8N2O3/c10-8-4-1-6-7(14-3-13-6)2-5(4)11-9(8)12/h1-2,8H,3,10H2,(H,11,12)
InChIKeyKQOUXLYVLOAHDF-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.37
Rot. Bonds

About 7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one

7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one (PubChem CID 82491055) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one.

Molecular Properties

Compound Name7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
PubChem CID82491055
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
SMILESNC1C(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C9H8N2O3/c10-8-4-1-6-7(14-3-13-6)2-5(4)11-9(8)12/h1-2,8H,3,10H2,(H,11,12)
InChIKeyKQOUXLYVLOAHDF-UHFFFAOYSA-N
XLogP0.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
CID 82500785
8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 82184552
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
(8R)-8-phenyl-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 1482126
3-amino-6-methyl-1,3-dihydroindol-2-one
CID 71306235
(8S)-8-(1,3-benzodioxol-5-yl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 92846250
7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 84623465
8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 114993838
(10R)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27879512
3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one
CID 79349107
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 649015

Frequently Asked Questions

What is the IUPAC name of 7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one?
The IUPAC name of 7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one (CID 82491055) is 7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one.
What is the SMILES notation for 7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one?
The canonical SMILES for 7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one is NC1C(=O)Nc2cc3c(cc21)OCO3.
What is the InChIKey of 7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one?
The InChIKey is KQOUXLYVLOAHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-8-4-1-6-7(14-3-13-6)2-5(4)11-9(8)12/h1-2,8H,3,10H2,(H,11,12).
What are the key properties of 7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one?
7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one has a molecular weight of 192.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one is sourced from PubChem (CID 82491055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).