7-hydroxy-2-oxochromene-3-carbonitrile

C10H5NO3 — CID 5393173

IUPAC7-hydroxy-2-oxochromene-3-carbonitrile
SMILESN#Cc1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H
InChIKeyIJQYTHQDUDCJEQ-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.37
Rot. Bonds

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

7-hydroxy-2-oxochromene-3-carbonitrile (PubChem CID 5393173) has the molecular formula C10H5NO3 and a molecular weight of 187.15 g/mol. Its IUPAC name is 7-hydroxy-2-oxochromene-3-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-2-oxochromene-3-carbonitrile
PubChem CID5393173
Molecular FormulaC10H5NO3
Molecular Weight187.15 g/mol
Exact Mass187.03
IUPAC Name7-hydroxy-2-oxochromene-3-carbonitrile
SMILESN#Cc1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H
InChIKeyIJQYTHQDUDCJEQ-UHFFFAOYSA-N
XLogP1.37
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.37
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-2-oxochromene-3-carbonitrile?
The IUPAC name of 7-hydroxy-2-oxochromene-3-carbonitrile (CID 5393173) is 7-hydroxy-2-oxochromene-3-carbonitrile.
What is the SMILES notation for 7-hydroxy-2-oxochromene-3-carbonitrile?
The canonical SMILES for 7-hydroxy-2-oxochromene-3-carbonitrile is N#Cc1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-2-oxochromene-3-carbonitrile?
The InChIKey is IJQYTHQDUDCJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H.
What are the key properties of 7-hydroxy-2-oxochromene-3-carbonitrile?
7-hydroxy-2-oxochromene-3-carbonitrile has a molecular weight of 187.15 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-oxochromene-3-carbonitrile is sourced from PubChem (CID 5393173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).