6-oxobenzo[c]chromene-10-carboxamide

C14H9NO3 — CID 965351

IUPAC6-oxobenzo[c]chromene-10-carboxamide
SMILESNC(=O)c1cccc2c(=O)oc3ccccc3c12
InChIInChI=1S/C14H9NO3/c15-13(16)9-5-3-6-10-12(9)8-4-1-2-7-11(8)18-14(10)17/h1-7H,(H2,15,16)
InChIKeyWSVCWCFPGVDIGZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.05
Rot. Bonds1

About 6-oxobenzo[c]chromene-10-carboxamide

6-oxobenzo[c]chromene-10-carboxamide (PubChem CID 965351) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-oxobenzo[c]chromene-10-carboxamide.

Molecular Properties

Compound Name6-oxobenzo[c]chromene-10-carboxamide
PubChem CID965351
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name6-oxobenzo[c]chromene-10-carboxamide
SMILESNC(=O)c1cccc2c(=O)oc3ccccc3c12
InChIInChI=1S/C14H9NO3/c15-13(16)9-5-3-6-10-12(9)8-4-1-2-7-11(8)18-14(10)17/h1-7H,(H2,15,16)
InChIKeyWSVCWCFPGVDIGZ-UHFFFAOYSA-N
XLogP2.05
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxobenzo[c]chromene-10-carboxamide?
The IUPAC name of 6-oxobenzo[c]chromene-10-carboxamide (CID 965351) is 6-oxobenzo[c]chromene-10-carboxamide.
What is the SMILES notation for 6-oxobenzo[c]chromene-10-carboxamide?
The canonical SMILES for 6-oxobenzo[c]chromene-10-carboxamide is NC(=O)c1cccc2c(=O)oc3ccccc3c12.
What is the InChIKey of 6-oxobenzo[c]chromene-10-carboxamide?
The InChIKey is WSVCWCFPGVDIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c15-13(16)9-5-3-6-10-12(9)8-4-1-2-7-11(8)18-14(10)17/h1-7H,(H2,15,16).
What are the key properties of 6-oxobenzo[c]chromene-10-carboxamide?
6-oxobenzo[c]chromene-10-carboxamide has a molecular weight of 239.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxobenzo[c]chromene-10-carboxamide is sourced from PubChem (CID 965351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).