3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one

C14H19NO2 — CID 114748089

IUPAC3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
SMILESCCC(N)CC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C14H19NO2/c1-2-11(15)9-13(16)12-7-3-5-10-6-4-8-17-14(10)12/h3,5,7,11H,2,4,6,8-9,15H2,1H3
InChIKeyFQXICAOWXKCOQX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds4

About 3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one

3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one (PubChem CID 114748089) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
PubChem CID114748089
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
SMILESCCC(N)CC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C14H19NO2/c1-2-11(15)9-13(16)12-7-3-5-10-6-4-8-17-14(10)12/h3,5,7,11H,2,4,6,8-9,15H2,1H3
InChIKeyFQXICAOWXKCOQX-UHFFFAOYSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747793
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
CID 105133620
(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one
CID 103447275
1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-one
CID 114747981
(2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone
CID 104952320
1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
CID 114747975
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one (CID 114748089) is 3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one is CCC(N)CC(=O)c1cccc2c1OCCC2.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one?
The InChIKey is FQXICAOWXKCOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-11(15)9-13(16)12-7-3-5-10-6-4-8-17-14(10)12/h3,5,7,11H,2,4,6,8-9,15H2,1H3.
What are the key properties of 3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one?
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one is sourced from PubChem (CID 114748089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).