6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile

C11H5NO4 — CID 82047728

IUPAC6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile
SMILESN#Cc1coc2c3c(ccc2c1=O)OCO3
InChIInChI=1S/C11H5NO4/c12-3-6-4-14-10-7(9(6)13)1-2-8-11(10)16-5-15-8/h1-2,4H,5H2
InChIKeyOGUDPNUEQWXMSJ-UHFFFAOYSA-N
MW215.16 g/mol
LogP1.39
Rot. Bonds

About 6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile

6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile (PubChem CID 82047728) has the molecular formula C11H5NO4 and a molecular weight of 215.16 g/mol. Its IUPAC name is 6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile.

Molecular Properties

Compound Name6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile
PubChem CID82047728
Molecular FormulaC11H5NO4
Molecular Weight215.16 g/mol
Exact Mass215.02
IUPAC Name6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile
SMILESN#Cc1coc2c3c(ccc2c1=O)OCO3
InChIInChI=1S/C11H5NO4/c12-3-6-4-14-10-7(9(6)13)1-2-8-11(10)16-5-15-8/h1-2,4H,5H2
InChIKeyOGUDPNUEQWXMSJ-UHFFFAOYSA-N
XLogP1.39
TPSA72.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile?
The IUPAC name of 6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile (CID 82047728) is 6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile.
What is the SMILES notation for 6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile?
The canonical SMILES for 6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile is N#Cc1coc2c3c(ccc2c1=O)OCO3.
What is the InChIKey of 6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile?
The InChIKey is OGUDPNUEQWXMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5NO4/c12-3-6-4-14-10-7(9(6)13)1-2-8-11(10)16-5-15-8/h1-2,4H,5H2.
What are the key properties of 6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile?
6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile has a molecular weight of 215.16 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-[1,3]dioxolo[4,5-h]chromene-7-carbonitrile is sourced from PubChem (CID 82047728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).