1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one

C13H17NO2 — CID 82493834

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H17NO2/c1-14-7-6-12(15)10-4-5-13-11(9-10)3-2-8-16-13/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyFRFQXPMNVMZSAH-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.80
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one

1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one (PubChem CID 82493834) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
PubChem CID82493834
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H17NO2/c1-14-7-6-12(15)10-4-5-13-11(9-10)3-2-8-16-13/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyFRFQXPMNVMZSAH-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium
CID 7214406
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
2-chloro-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanone
CID 82242395
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90355177
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 90354576
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826329

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one (CID 82493834) is 1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one is CNCCC(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one?
The InChIKey is FRFQXPMNVMZSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-7-6-12(15)10-4-5-13-11(9-10)3-2-8-16-13/h4-5,9,14H,2-3,6-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one?
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 82493834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).