7-aminochromen-2-one;ethoxyethane

C13H17NO3 — CID 174580965

IUPAC7-aminochromen-2-one;ethoxyethane
SMILESCCOCC.Nc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C9H7NO2.C4H10O/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-3-5-4-2/h1-5H,10H2;3-4H2,1-2H3
InChIKeyPZJRZBWGVDGZGN-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.42
Rot. Bonds2

About 7-aminochromen-2-one;ethoxyethane

7-aminochromen-2-one;ethoxyethane (PubChem CID 174580965) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 7-aminochromen-2-one;ethoxyethane.

Molecular Properties

Compound Name7-aminochromen-2-one;ethoxyethane
PubChem CID174580965
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name7-aminochromen-2-one;ethoxyethane
SMILESCCOCC.Nc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C9H7NO2.C4H10O/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-3-5-4-2/h1-5H,10H2;3-4H2,1-2H3
InChIKeyPZJRZBWGVDGZGN-UHFFFAOYSA-N
XLogP2.42
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-aminochromen-2-one;ethane
CID 166456004
7-amino-3-(ethoxymethyl)chromen-2-one
CID 163290434
7-aminochromen-2-one;(2S)-2-aminopropanoic acid
CID 87395737
7-(diethoxyamino)chromen-2-one
CID 141287948
6,7-diethylchromen-2-one
CID 90255356
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
7-[(3,5-diaminophenyl)methoxy]chromen-2-one
CID 89404478
7-ethylsulfanylchromen-2-one
CID 177163934
7-[ethyl(methyl)amino]chromen-2-one
CID 154538334
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

Frequently Asked Questions

What is the IUPAC name of 7-aminochromen-2-one;ethoxyethane?
The IUPAC name of 7-aminochromen-2-one;ethoxyethane (CID 174580965) is 7-aminochromen-2-one;ethoxyethane.
What is the SMILES notation for 7-aminochromen-2-one;ethoxyethane?
The canonical SMILES for 7-aminochromen-2-one;ethoxyethane is CCOCC.Nc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-aminochromen-2-one;ethoxyethane?
The InChIKey is PZJRZBWGVDGZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.C4H10O/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-3-5-4-2/h1-5H,10H2;3-4H2,1-2H3.
What are the key properties of 7-aminochromen-2-one;ethoxyethane?
7-aminochromen-2-one;ethoxyethane has a molecular weight of 235.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminochromen-2-one;ethoxyethane is sourced from PubChem (CID 174580965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).