2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide

C14H11NO4 — CID 13466144

IUPAC2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide
SMILESNC(=O)c1cc2c(oc1=O)-c1ccccc1OCC2
InChIInChI=1S/C14H11NO4/c15-13(16)10-7-8-5-6-18-11-4-2-1-3-9(11)12(8)19-14(10)17/h1-4,7H,5-6H2,(H2,15,16)
InChIKeyHMWTUCPGGROHRX-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.34
Rot. Bonds1

About 2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide

2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide (PubChem CID 13466144) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide
PubChem CID13466144
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide
SMILESNC(=O)c1cc2c(oc1=O)-c1ccccc1OCC2
InChIInChI=1S/C14H11NO4/c15-13(16)10-7-8-5-6-18-11-4-2-1-3-9(11)12(8)19-14(10)17/h1-4,7H,5-6H2,(H2,15,16)
InChIKeyHMWTUCPGGROHRX-UHFFFAOYSA-N
XLogP1.34
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide?
The IUPAC name of 2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide (CID 13466144) is 2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide.
What is the SMILES notation for 2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide?
The canonical SMILES for 2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide is NC(=O)c1cc2c(oc1=O)-c1ccccc1OCC2.
What is the InChIKey of 2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide?
The InChIKey is HMWTUCPGGROHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c15-13(16)10-7-8-5-6-18-11-4-2-1-3-9(11)12(8)19-14(10)17/h1-4,7H,5-6H2,(H2,15,16).
What are the key properties of 2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide?
2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6-dihydropyrano[3,2-d][1]benzoxepine-3-carboxamide is sourced from PubChem (CID 13466144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).