7-amino-3-(ethoxymethyl)chromen-2-one

C12H13NO3 — CID 163290434

IUPAC7-amino-3-(ethoxymethyl)chromen-2-one
SMILESCCOCc1cc2ccc(N)cc2oc1=O
InChIInChI=1S/C12H13NO3/c1-2-15-7-9-5-8-3-4-10(13)6-11(8)16-12(9)14/h3-6H,2,7,13H2,1H3
InChIKeyABGYRXHMFCQHMH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.91
Rot. Bonds3

About 7-amino-3-(ethoxymethyl)chromen-2-one

7-amino-3-(ethoxymethyl)chromen-2-one (PubChem CID 163290434) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-amino-3-(ethoxymethyl)chromen-2-one.

Molecular Properties

Compound Name7-amino-3-(ethoxymethyl)chromen-2-one
PubChem CID163290434
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name7-amino-3-(ethoxymethyl)chromen-2-one
SMILESCCOCc1cc2ccc(N)cc2oc1=O
InChIInChI=1S/C12H13NO3/c1-2-15-7-9-5-8-3-4-10(13)6-11(8)16-12(9)14/h3-6H,2,7,13H2,1H3
InChIKeyABGYRXHMFCQHMH-UHFFFAOYSA-N
XLogP1.91
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.91
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-amino-2-oxochromen-3-yl)methyl acetate
CID 167106111
7-aminochromen-2-one;ethoxyethane
CID 174580965
(7-amino-2-oxochromen-3-yl) acetate
CID 141051304
(7-methyl-2-oxochromen-3-yl)methyl hypoiodite
CID 155721397
7-amino-3-(1-hydroxyethyl)chromen-2-one
CID 170712344
[7-(diethylamino)-2-oxochromen-3-yl]methyl acetate;propane
CID 142122971
7-tert-butyl-3-ethylchromen-2-one
CID 89010993
7-aminochromen-2-one;ethane
CID 166456004
7-amino-3-(4-tert-butylphenyl)chromen-2-one
CID 172825366
3-amino-7-hydroxychromen-2-one;ethane
CID 145140351
ethane;2-methyl-1-benzofuran-6-amine
CID 168913967
ethyl 7-amino-3-methyl-2-oxochromene-4-carboxylate
CID 141118474

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(ethoxymethyl)chromen-2-one?
The IUPAC name of 7-amino-3-(ethoxymethyl)chromen-2-one (CID 163290434) is 7-amino-3-(ethoxymethyl)chromen-2-one.
What is the SMILES notation for 7-amino-3-(ethoxymethyl)chromen-2-one?
The canonical SMILES for 7-amino-3-(ethoxymethyl)chromen-2-one is CCOCc1cc2ccc(N)cc2oc1=O.
What is the InChIKey of 7-amino-3-(ethoxymethyl)chromen-2-one?
The InChIKey is ABGYRXHMFCQHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-15-7-9-5-8-3-4-10(13)6-11(8)16-12(9)14/h3-6H,2,7,13H2,1H3.
What are the key properties of 7-amino-3-(ethoxymethyl)chromen-2-one?
7-amino-3-(ethoxymethyl)chromen-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(ethoxymethyl)chromen-2-one is sourced from PubChem (CID 163290434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).