3-(aminomethyl)-6-ethylchromen-4-one

C12H13NO2 — CID 45094677

IUPAC3-(aminomethyl)-6-ethylchromen-4-one
SMILESCCc1ccc2occ(CN)c(=O)c2c1
InChIInChI=1S/C12H13NO2/c1-2-8-3-4-11-10(5-8)12(14)9(6-13)7-15-11/h3-5,7H,2,6,13H2,1H3
InChIKeyUXFCTKFPBKSZDC-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.81
Rot. Bonds2

About 3-(aminomethyl)-6-ethylchromen-4-one

3-(aminomethyl)-6-ethylchromen-4-one (PubChem CID 45094677) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(aminomethyl)-6-ethylchromen-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-ethylchromen-4-one
PubChem CID45094677
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(aminomethyl)-6-ethylchromen-4-one
SMILESCCc1ccc2occ(CN)c(=O)c2c1
InChIInChI=1S/C12H13NO2/c1-2-8-3-4-11-10(5-8)12(14)9(6-13)7-15-11/h3-5,7H,2,6,13H2,1H3
InChIKeyUXFCTKFPBKSZDC-UHFFFAOYSA-N
XLogP1.81
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 117174172
2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048863
phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
3-(2-aminobutyl)-6-fluorochromen-4-one
CID 170889079
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea
CID 174318981
[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174176
(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18860513
N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872463
naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872546
N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048090

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-ethylchromen-4-one?
The IUPAC name of 3-(aminomethyl)-6-ethylchromen-4-one (CID 45094677) is 3-(aminomethyl)-6-ethylchromen-4-one.
What is the SMILES notation for 3-(aminomethyl)-6-ethylchromen-4-one?
The canonical SMILES for 3-(aminomethyl)-6-ethylchromen-4-one is CCc1ccc2occ(CN)c(=O)c2c1.
What is the InChIKey of 3-(aminomethyl)-6-ethylchromen-4-one?
The InChIKey is UXFCTKFPBKSZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-8-3-4-11-10(5-8)12(14)9(6-13)7-15-11/h3-5,7H,2,6,13H2,1H3.
What are the key properties of 3-(aminomethyl)-6-ethylchromen-4-one?
3-(aminomethyl)-6-ethylchromen-4-one has a molecular weight of 203.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-ethylchromen-4-one is sourced from PubChem (CID 45094677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).