7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one

C13H17NO2 — CID 175219385

IUPAC7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one
SMILESCCN(C)c1ccc2c(c1)OC(=O)CC2C
InChIInChI=1S/C13H17NO2/c1-4-14(3)10-5-6-11-9(2)7-13(15)16-12(11)8-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyRPJXJQPQZYJMAQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.56
Rot. Bonds2

About 7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one

7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one (PubChem CID 175219385) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one
PubChem CID175219385
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one
SMILESCCN(C)c1ccc2c(c1)OC(=O)CC2C
InChIInChI=1S/C13H17NO2/c1-4-14(3)10-5-6-11-9(2)7-13(15)16-12(11)8-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyRPJXJQPQZYJMAQ-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-7-diethylaminocoumarin
CID 7050
Damc
CID 6867
N-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide
CID 122042
7-Diethylaminocoumarin
CID 88598
2H-1-Benzopyran-2-one, 3-acetyl-7-(diethylamino)-
CID 688763
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
CID 120014
7-(Diethylamino)-4-hydroxy-2H-1-benzopyran-2-one
CID 54680650
7-(Diethylamino)coumarin-3-carbonitrile
CID 688937
Coumarin 35
CID 94523
Coumarin 152
CID 104522
7-(Diethylamino)-2-oxo-2H-chromene-3-carbaldehyde
CID 143191
2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl-
CID 120061

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of 7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one (CID 175219385) is 7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one is CCN(C)c1ccc2c(c1)OC(=O)CC2C.
What is the InChIKey of 7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one?
The InChIKey is RPJXJQPQZYJMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-14(3)10-5-6-11-9(2)7-13(15)16-12(11)8-10/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one?
7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.56, 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]-4-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 175219385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).