3-(benzenecarboximidoyl)-4-hydroxychromen-2-one

C16H11NO3 — CID 136744642

IUPAC3-(benzenecarboximidoyl)-4-hydroxychromen-2-one
SMILES[H]/N=C(\c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H11NO3/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)20-16(13)19/h1-9,17-18H/b17-14+
InChIKeyQOEWUJOBNRLWJH-SAPNQHFASA-N
MW265.27 g/mol
LogP2.91
Rot. Bonds2

About 3-(benzenecarboximidoyl)-4-hydroxychromen-2-one

3-(benzenecarboximidoyl)-4-hydroxychromen-2-one (PubChem CID 136744642) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(benzenecarboximidoyl)-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-(benzenecarboximidoyl)-4-hydroxychromen-2-one
PubChem CID136744642
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-(benzenecarboximidoyl)-4-hydroxychromen-2-one
SMILES[H]/N=C(\c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H11NO3/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)20-16(13)19/h1-9,17-18H/b17-14+
InChIKeyQOEWUJOBNRLWJH-SAPNQHFASA-N
XLogP2.91
TPSA74.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-benzoyl-4-hydroxychromen-2-one
CID 135407308
dibenzofuran-2-yl(phenyl)methanimine
CID 167230325
N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54706041
3-(benzenecarboximidoyl)-5-nitro-1-benzofuran-2-ol
CID 135687010
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
4-hydroxy-3-methylchromen-2-one
CID 54687016
3-benzoyl-4-phenylchromen-2-one
CID 629843
4-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)sulfanylchromen-2-one
CID 54703982
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
1-(4-hydroxy-2-oxochromen-3-yl)-2-thiophen-2-ylethane-1,2-dione
CID 54709877
4-(2-formylphenyl)-2-oxochromene-3-carboxylate
CID 57367276

Frequently Asked Questions

What is the IUPAC name of 3-(benzenecarboximidoyl)-4-hydroxychromen-2-one?
The IUPAC name of 3-(benzenecarboximidoyl)-4-hydroxychromen-2-one (CID 136744642) is 3-(benzenecarboximidoyl)-4-hydroxychromen-2-one.
What is the SMILES notation for 3-(benzenecarboximidoyl)-4-hydroxychromen-2-one?
The canonical SMILES for 3-(benzenecarboximidoyl)-4-hydroxychromen-2-one is [H]/N=C(\c1ccccc1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 3-(benzenecarboximidoyl)-4-hydroxychromen-2-one?
The InChIKey is QOEWUJOBNRLWJH-SAPNQHFASA-N. The full InChI is InChI=1S/C16H11NO3/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)20-16(13)19/h1-9,17-18H/b17-14+.
What are the key properties of 3-(benzenecarboximidoyl)-4-hydroxychromen-2-one?
3-(benzenecarboximidoyl)-4-hydroxychromen-2-one has a molecular weight of 265.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenecarboximidoyl)-4-hydroxychromen-2-one is sourced from PubChem (CID 136744642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).