5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one

C10H9NO4 — CID 135021934

IUPAC5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one
SMILESCON1C(=O)Cc2cc3c(cc21)OCO3
InChIInChI=1S/C10H9NO4/c1-13-11-7-4-9-8(14-5-15-9)2-6(7)3-10(11)12/h2,4H,3,5H2,1H3
InChIKeyLNPPEDRSPKBWNK-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.87
Rot. Bonds1

About 5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one

5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one (PubChem CID 135021934) has the molecular formula C10H9NO4 and a molecular weight of 207.18 g/mol. Its IUPAC name is 5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one.

Molecular Properties

Compound Name5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one
PubChem CID135021934
Molecular FormulaC10H9NO4
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Name5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one
SMILESCON1C(=O)Cc2cc3c(cc21)OCO3
InChIInChI=1S/C10H9NO4/c1-13-11-7-4-9-8(14-5-15-9)2-6(7)3-10(11)12/h2,4H,3,5H2,1H3
InChIKeyLNPPEDRSPKBWNK-UHFFFAOYSA-N
XLogP0.87
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one
CID 121215736
6-methoxy-[1,3]dioxolo[4,5-b]phenanthridin-5-one
CID 102098309
4,7-dimethoxy-1,4-benzoxazin-3-one
CID 135083959
5-[2-(dimethylamino)ethyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157854
17-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,15(19),16-hexaen-11-one
CID 624508
5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole
CID 142057462
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
cyclopenta[f][1,3]benzodioxole-5,7-dione
CID 11127061
20-ethyl-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one
CID 10618823
(3S,7R)-2-(2,4,6-trimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-4-one
CID 102205365
7-[(4-methoxyphenyl)methyl]-5-phenyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one
CID 54311388
5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 84627659

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one?
The IUPAC name of 5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one (CID 135021934) is 5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one.
What is the SMILES notation for 5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one?
The canonical SMILES for 5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one is CON1C(=O)Cc2cc3c(cc21)OCO3.
What is the InChIKey of 5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one?
The InChIKey is LNPPEDRSPKBWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-13-11-7-4-9-8(14-5-15-9)2-6(7)3-10(11)12/h2,4H,3,5H2,1H3.
What are the key properties of 5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one?
5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one has a molecular weight of 207.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one is sourced from PubChem (CID 135021934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).