7-[ethyl(methyl)amino]chromen-2-one

C12H13NO2 — CID 154538334

IUPAC7-[ethyl(methyl)amino]chromen-2-one
SMILESCCN(C)c1ccc2ccc(=O)oc2c1
InChIInChI=1S/C12H13NO2/c1-3-13(2)10-6-4-9-5-7-12(14)15-11(9)8-10/h4-8H,3H2,1-2H3
InChIKeyFSDUWXAOSZJHDI-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.25
Rot. Bonds2

About 7-[ethyl(methyl)amino]chromen-2-one

7-[ethyl(methyl)amino]chromen-2-one (PubChem CID 154538334) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-[ethyl(methyl)amino]chromen-2-one.

Molecular Properties

Compound Name7-[ethyl(methyl)amino]chromen-2-one
PubChem CID154538334
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-[ethyl(methyl)amino]chromen-2-one
SMILESCCN(C)c1ccc2ccc(=O)oc2c1
InChIInChI=1S/C12H13NO2/c1-3-13(2)10-6-4-9-5-7-12(14)15-11(9)8-10/h4-8H,3H2,1-2H3
InChIKeyFSDUWXAOSZJHDI-UHFFFAOYSA-N
XLogP2.25
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[2-hydroxyethyl(methyl)amino]chromen-2-one
CID 87789363
7-(diethylamino)chromen-2-one;formonitrile
CID 134347975
7-(diethoxyamino)chromen-2-one
CID 141287948
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
7-(diethylamino)chromen-2-one;2-methylidenepropanedinitrile
CID 175090342
6,7-diethylchromen-2-one
CID 90255356
7-[ethyl(methyl)amino]-3-(2-oxopropyliminomethyl)chromen-2-one
CID 158461464
7-ethylsulfanylchromen-2-one
CID 177163934
7-(diethylamino)-3-(dimethylamino)chromen-2-one
CID 71412900
2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane
CID 160718601
7-aminochromen-2-one;ethane
CID 166456004
7-aminochromen-2-one;ethoxyethane
CID 174580965

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(methyl)amino]chromen-2-one?
The IUPAC name of 7-[ethyl(methyl)amino]chromen-2-one (CID 154538334) is 7-[ethyl(methyl)amino]chromen-2-one.
What is the SMILES notation for 7-[ethyl(methyl)amino]chromen-2-one?
The canonical SMILES for 7-[ethyl(methyl)amino]chromen-2-one is CCN(C)c1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[ethyl(methyl)amino]chromen-2-one?
The InChIKey is FSDUWXAOSZJHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13(2)10-6-4-9-5-7-12(14)15-11(9)8-10/h4-8H,3H2,1-2H3.
What are the key properties of 7-[ethyl(methyl)amino]chromen-2-one?
7-[ethyl(methyl)amino]chromen-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(methyl)amino]chromen-2-one is sourced from PubChem (CID 154538334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).