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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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).