3-(2-aminoethyl)chromen-4-one

C11H11NO2 — CID 55212083

IUPAC3-(2-aminoethyl)chromen-4-one
SMILESNCCc1coc2ccccc2c1=O
InChIInChI=1S/C11H11NO2/c12-6-5-8-7-14-10-4-2-1-3-9(10)11(8)13/h1-4,7H,5-6,12H2
InChIKeyZJOXHIFFWWMRPX-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.29
Rot. Bonds2

About 3-(2-aminoethyl)chromen-4-one

3-(2-aminoethyl)chromen-4-one (PubChem CID 55212083) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2-aminoethyl)chromen-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)chromen-4-one
PubChem CID55212083
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(2-aminoethyl)chromen-4-one
SMILESNCCc1coc2ccccc2c1=O
InChIInChI=1S/C11H11NO2/c12-6-5-8-7-14-10-4-2-1-3-9(10)11(8)13/h1-4,7H,5-6,12H2
InChIKeyZJOXHIFFWWMRPX-UHFFFAOYSA-N
XLogP1.29
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-(1-benzofuran-3-yl)decan-1-amine
CID 152675893
methyl 4-(4-oxochromen-3-yl)butanoate
CID 14844821
3-[(4-bromophenoxy)methyl]chromen-4-one
CID 166068093
3-[(pyridin-4-ylmethyldiazenyl)methyl]chromen-4-one
CID 90976504
CID 143974471
CID 143974471
3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one
CID 7367107
3-(4-amino-2-fluorophenyl)chromen-4-one
CID 167449525
benzene;3-hydroxychromen-4-one
CID 175480795
2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048863
2-furo[3,2-c]pyridin-3-ylethanamine
CID 10261395
2-(7-bromo-1-benzofuran-3-yl)ethanamine
CID 81048635
3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-4-one
CID 7047564

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)chromen-4-one?
The IUPAC name of 3-(2-aminoethyl)chromen-4-one (CID 55212083) is 3-(2-aminoethyl)chromen-4-one.
What is the SMILES notation for 3-(2-aminoethyl)chromen-4-one?
The canonical SMILES for 3-(2-aminoethyl)chromen-4-one is NCCc1coc2ccccc2c1=O.
What is the InChIKey of 3-(2-aminoethyl)chromen-4-one?
The InChIKey is ZJOXHIFFWWMRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c12-6-5-8-7-14-10-4-2-1-3-9(10)11(8)13/h1-4,7H,5-6,12H2.
What are the key properties of 3-(2-aminoethyl)chromen-4-one?
3-(2-aminoethyl)chromen-4-one has a molecular weight of 189.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)chromen-4-one is sourced from PubChem (CID 55212083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).