7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile

C11H7NO3 — CID 5393172

IUPAC7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile
SMILESCc1c(C#N)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C11H7NO3/c1-6-8-3-2-7(13)4-10(8)15-11(14)9(6)5-12/h2-4,13H,1H3
InChIKeyGLGBPOSQDAZSIZ-UHFFFAOYSA-N
MW201.18 g/mol
LogP1.68
Rot. Bonds

About 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile

7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile (PubChem CID 5393172) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile
PubChem CID5393172
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile
SMILESCc1c(C#N)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C11H7NO3/c1-6-8-3-2-7(13)4-10(8)15-11(14)9(6)5-12/h2-4,13H,1H3
InChIKeyGLGBPOSQDAZSIZ-UHFFFAOYSA-N
XLogP1.68
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile?
The IUPAC name of 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile (CID 5393172) is 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile.
What is the SMILES notation for 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile?
The canonical SMILES for 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile is Cc1c(C#N)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile?
The InChIKey is GLGBPOSQDAZSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c1-6-8-3-2-7(13)4-10(8)15-11(14)9(6)5-12/h2-4,13H,1H3.
What are the key properties of 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile?
7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile has a molecular weight of 201.18 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile is sourced from PubChem (CID 5393172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).