2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide

C17H15NO4 — CID 67681275

IUPAC2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide
SMILESO=C(NC1=CCCC=C1O)C(=O)C1=CCOc2ccccc21
InChIInChI=1S/C17H15NO4/c19-14-7-3-2-6-13(14)18-17(21)16(20)12-9-10-22-15-8-4-1-5-11(12)15/h1,4-9,19H,2-3,10H2,(H,18,21)
InChIKeyLTECDQMISFUUMX-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.27
Rot. Bonds3

About 2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide

2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide (PubChem CID 67681275) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide
PubChem CID67681275
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide
SMILESO=C(NC1=CCCC=C1O)C(=O)C1=CCOc2ccccc21
InChIInChI=1S/C17H15NO4/c19-14-7-3-2-6-13(14)18-17(21)16(20)12-9-10-22-15-8-4-1-5-11(12)15/h1,4-9,19H,2-3,10H2,(H,18,21)
InChIKeyLTECDQMISFUUMX-UHFFFAOYSA-N
XLogP2.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2H-chromen-4-yl)-2-oxoacetic acid
CID 175857697
6-phenyl-2H-chromene-4-carboxylic acid
CID 82087891
8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene
CID 174046531
sodium;hydride;4-methyl-2H-chromene
CID 173094334
4-phenyl-2H-chromene
CID 11063647
4-oxo-2,3-dihydrochromene-3-carboxylic acid
CID 68674763
1-(2H-chromen-4-yl)pyrrolidin-2-one
CID 19937601
(7-phenyl-2H-chromen-4-yl)methylcarbamic acid
CID 90236964
acetic acid;benzo[d][1]benzoxepin-7-one
CID 70307901
1-(4-oxo-2,3-dihydrochromen-3-yl)butane-1,2-dione
CID 56993731
2,4,12,14-tetraoxa-13λ2-plumbatricyclo[14.4.0.05,10]icosa-1(20),5,7,9,16,18-hexaene-11,15-dione
CID 156787133
methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate
CID 42646364

Frequently Asked Questions

What is the IUPAC name of 2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide?
The IUPAC name of 2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide (CID 67681275) is 2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide?
The canonical SMILES for 2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide is O=C(NC1=CCCC=C1O)C(=O)C1=CCOc2ccccc21.
What is the InChIKey of 2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide?
The InChIKey is LTECDQMISFUUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-14-7-3-2-6-13(14)18-17(21)16(20)12-9-10-22-15-8-4-1-5-11(12)15/h1,4-9,19H,2-3,10H2,(H,18,21).
What are the key properties of 2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide?
2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide has a molecular weight of 297.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-chromen-4-yl)-N-(6-hydroxycyclohexa-1,5-dien-1-yl)-2-oxoacetamide is sourced from PubChem (CID 67681275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).