7-(diethoxyamino)chromen-2-one

C13H15NO4 — CID 141287948

IUPAC7-(diethoxyamino)chromen-2-one
SMILESCCON(OCC)c1ccc2ccc(=O)oc2c1
InChIInChI=1S/C13H15NO4/c1-3-16-14(17-4-2)11-7-5-10-6-8-13(15)18-12(10)9-11/h5-9H,3-4H2,1-2H3
InChIKeyNVNPHEBFPXKZSC-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.50
Rot. Bonds5

About 7-(diethoxyamino)chromen-2-one

7-(diethoxyamino)chromen-2-one (PubChem CID 141287948) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-(diethoxyamino)chromen-2-one.

Molecular Properties

Compound Name7-(diethoxyamino)chromen-2-one
PubChem CID141287948
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name7-(diethoxyamino)chromen-2-one
SMILESCCON(OCC)c1ccc2ccc(=O)oc2c1
InChIInChI=1S/C13H15NO4/c1-3-16-14(17-4-2)11-7-5-10-6-8-13(15)18-12(10)9-11/h5-9H,3-4H2,1-2H3
InChIKeyNVNPHEBFPXKZSC-UHFFFAOYSA-N
XLogP2.50
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[ethyl(methyl)amino]chromen-2-one
CID 154538334
7-(diethylamino)chromen-2-one;formonitrile
CID 134347975
7-[2-hydroxyethyl(methyl)amino]chromen-2-one
CID 87789363
7-aminochromen-2-one;ethoxyethane
CID 174580965
7-(diethylamino)chromen-2-one;2-methylidenepropanedinitrile
CID 175090342
6,7-diethylchromen-2-one
CID 90255356
7-(4-methylhexan-3-yloxy)chromen-2-one
CID 71536673
7-ethylsulfanylchromen-2-one
CID 177163934
7-ethoxy-6-hydroxychromen-2-one
CID 13031686
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
6,7-dimethoxychromen-2-one
CID 159563577
7-aminochromen-2-one;ethane
CID 166456004

Frequently Asked Questions

What is the IUPAC name of 7-(diethoxyamino)chromen-2-one?
The IUPAC name of 7-(diethoxyamino)chromen-2-one (CID 141287948) is 7-(diethoxyamino)chromen-2-one.
What is the SMILES notation for 7-(diethoxyamino)chromen-2-one?
The canonical SMILES for 7-(diethoxyamino)chromen-2-one is CCON(OCC)c1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-(diethoxyamino)chromen-2-one?
The InChIKey is NVNPHEBFPXKZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-16-14(17-4-2)11-7-5-10-6-8-13(15)18-12(10)9-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 7-(diethoxyamino)chromen-2-one?
7-(diethoxyamino)chromen-2-one has a molecular weight of 249.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethoxyamino)chromen-2-one is sourced from PubChem (CID 141287948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).