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

C15H21NO2 — CID 163208936

IUPAC7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one
SMILESCCN(c1ccc2c(c1)OC(=O)CC2C)C(C)C
InChIInChI=1S/C15H21NO2/c1-5-16(10(2)3)12-6-7-13-11(4)8-15(17)18-14(13)9-12/h6-7,9-11H,5,8H2,1-4H3
InChIKeyCCDHINDDRFDDCS-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.33
Rot. Bonds3

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

7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one (PubChem CID 163208936) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one
PubChem CID163208936
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one
SMILESCCN(c1ccc2c(c1)OC(=O)CC2C)C(C)C
InChIInChI=1S/C15H21NO2/c1-5-16(10(2)3)12-6-7-13-11(4)8-15(17)18-14(13)9-12/h6-7,9-11H,5,8H2,1-4H3
InChIKeyCCDHINDDRFDDCS-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.33
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

7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one
CID 175219385
7-[ethyl(2-fluoroethyl)amino]-4-methyl-3,4-dihydrochromen-2-one
CID 163209113
7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one
CID 163209041
2-[(4-methyl-2-oxo-3,4-dihydrochromen-7-yl)amino]acetonitrile
CID 163209070
7-(4-bromobutoxy)-4-methyl-3,4-dihydrochromen-2-one
CID 155667336
7-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methyl-3,4-dihydrochromen-2-one
CID 59967030
4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154
4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde
CID 62134905
7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one
CID 122394788
8-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 91637670
7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one
CID 15517821
N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43010945

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of 7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one (CID 163208936) is 7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one is CCN(c1ccc2c(c1)OC(=O)CC2C)C(C)C.
What is the InChIKey of 7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one?
The InChIKey is CCDHINDDRFDDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-16(10(2)3)12-6-7-13-11(4)8-15(17)18-14(13)9-12/h6-7,9-11H,5,8H2,1-4H3.
What are the key properties of 7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one?
7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 163208936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).