7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one

C14H16N2O3 — CID 170986866

IUPAC7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=N/O)c(=O)oc2c1
InChIInChI=1S/C14H16N2O3/c1-3-16(4-2)12-6-5-10-7-11(9-15-18)14(17)19-13(10)8-12/h5-9,18H,3-4H2,1-2H3/b15-9+
InChIKeyNAGJAUCLWVEUFI-OQLLNIDSSA-N
MW260.29 g/mol
LogP2.45
Rot. Bonds4

About 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one

7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one (PubChem CID 170986866) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one
PubChem CID170986866
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=N/O)c(=O)oc2c1
InChIInChI=1S/C14H16N2O3/c1-3-16(4-2)12-6-5-10-7-11(9-15-18)14(17)19-13(10)8-12/h5-9,18H,3-4H2,1-2H3/b15-9+
InChIKeyNAGJAUCLWVEUFI-OQLLNIDSSA-N
XLogP2.45
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one (CID 170986866) is 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one is CCN(CC)c1ccc2cc(/C=N/O)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one?
The InChIKey is NAGJAUCLWVEUFI-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16(4-2)12-6-5-10-7-11(9-15-18)14(17)19-13(10)8-12/h5-9,18H,3-4H2,1-2H3/b15-9+.
What are the key properties of 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one?
7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one has a molecular weight of 260.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[(E)-hydroxyiminomethyl]chromen-2-one is sourced from PubChem (CID 170986866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).