8-methoxy-4-oxochromene-3-carbonitrile

C11H7NO3 — CID 13428164

IUPAC8-methoxy-4-oxochromene-3-carbonitrile
SMILESCOc1cccc2c(=O)c(C#N)coc12
InChIInChI=1S/C11H7NO3/c1-14-9-4-2-3-8-10(13)7(5-12)6-15-11(8)9/h2-4,6H,1H3
InChIKeyRWYNFTSXZRBELM-UHFFFAOYSA-N
MW201.18 g/mol
LogP1.67
Rot. Bonds1

About 8-methoxy-4-oxochromene-3-carbonitrile

8-methoxy-4-oxochromene-3-carbonitrile (PubChem CID 13428164) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 8-methoxy-4-oxochromene-3-carbonitrile.

Molecular Properties

Compound Name8-methoxy-4-oxochromene-3-carbonitrile
PubChem CID13428164
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name8-methoxy-4-oxochromene-3-carbonitrile
SMILESCOc1cccc2c(=O)c(C#N)coc12
InChIInChI=1S/C11H7NO3/c1-14-9-4-2-3-8-10(13)7(5-12)6-15-11(8)9/h2-4,6H,1H3
InChIKeyRWYNFTSXZRBELM-UHFFFAOYSA-N
XLogP1.67
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-oxochromene-3-carbonitrile?
The IUPAC name of 8-methoxy-4-oxochromene-3-carbonitrile (CID 13428164) is 8-methoxy-4-oxochromene-3-carbonitrile.
What is the SMILES notation for 8-methoxy-4-oxochromene-3-carbonitrile?
The canonical SMILES for 8-methoxy-4-oxochromene-3-carbonitrile is COc1cccc2c(=O)c(C#N)coc12.
What is the InChIKey of 8-methoxy-4-oxochromene-3-carbonitrile?
The InChIKey is RWYNFTSXZRBELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c1-14-9-4-2-3-8-10(13)7(5-12)6-15-11(8)9/h2-4,6H,1H3.
What are the key properties of 8-methoxy-4-oxochromene-3-carbonitrile?
8-methoxy-4-oxochromene-3-carbonitrile has a molecular weight of 201.18 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-oxochromene-3-carbonitrile is sourced from PubChem (CID 13428164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).