[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium

C14H20NO2+ — CID 7214406

IUPAC[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium
SMILESC[NH+](C)CCC(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H19NO2/c1-15(2)8-7-13(16)11-5-6-14-12(10-11)4-3-9-17-14/h5-6,10H,3-4,7-9H2,1-2H3/p+1
InChIKeyYGIRMIQXWODLPW-UHFFFAOYSA-O
MW234.32 g/mol
LogP0.73
Rot. Bonds4

About [3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium

[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium (PubChem CID 7214406) has the molecular formula C14H20NO2+ and a molecular weight of 234.32 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium.

Molecular Properties

Compound Name[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium
PubChem CID7214406
Molecular FormulaC14H20NO2+
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium
SMILESC[NH+](C)CCC(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H19NO2/c1-15(2)8-7-13(16)11-5-6-14-12(10-11)4-3-9-17-14/h5-6,10H,3-4,7-9H2,1-2H3/p+1
InChIKeyYGIRMIQXWODLPW-UHFFFAOYSA-O
XLogP0.73
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834
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
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90355177
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
2-chloro-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanone
CID 82242395
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-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
dimethyl-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-oxopropyl]azanium chloride
CID 18529669

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium?
The IUPAC name of [3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium (CID 7214406) is [3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium.
What is the SMILES notation for [3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium?
The canonical SMILES for [3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium is C[NH+](C)CCC(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of [3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium?
The InChIKey is YGIRMIQXWODLPW-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19NO2/c1-15(2)8-7-13(16)11-5-6-14-12(10-11)4-3-9-17-14/h5-6,10H,3-4,7-9H2,1-2H3/p+1.
What are the key properties of [3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium?
[3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium has a molecular weight of 234.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-2H-chromen-6-yl)-3-oxopropyl]-dimethylazanium is sourced from PubChem (CID 7214406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).